Names

    • EN300-20412
    • Tryptamine, analytical standard
    • 2-(1H-indol-3-yl)-ethyl-amine
    • SR-01000075589-5
    • (Amino-2 ethyl)-3 indole
    • MFCD00005661
    • triptamine
    • NCGC00014994-07
    • F2169-0960
    • InChI=1/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H
    • 3-indolylethylamine
    • 3-(2-amino)ethyl indole
    • bmse000207
    • NSC-165212
    • Spectrum2_000873
    • Spectrum3_001890
    • NCGC00014994-10
    • SPECTRUM1503922
    • Q409439
    • HMS1922K18
    • 2-Indol-3-yl-aethylamin
    • NCGC00014994-04
    • NCGC00095081-01
    • KBio1_000862
    • UNII-422ZU9N5TV
    • HY-B2132
    • BP-12561
    • NCGC00014994-06
    • NCGC00014994-11
    • beta-(3-Indolyl)ethylamine
    • C00398
    • SY001383
    • BRN 0125513
    • 422ZU9N5TV
    • CHEMBL6640
    • DTXSID2075340
    • Tryptamin
    • 2-(Indol-3-yl)ethylamine
    • Lopac0_000061
    • KBioSS_000393
    • KBioGR_001459
    • SDCCGMLS-0066798.P001
    • T-8095
    • MLS000515794
    • 2-(1h-indol-3-yl) ethylamine
    • NCGC00014994-02
    • BSPBio_003400
    • DB08653
    • SPBio_000945
    • CCRIS 8959
    • s3627
    • Oprea1_870097
    • CCG-40088
    • AKOS000119468
    • HMS2267B18
    • .beta.-(3-Indolyl)ethylamine
    • EC 200-510-5
    • Indol-3-ethylamine
    • CS-D1750
    • SCHEMBL26725
    • Indole, 3-(2-aminoethyl)-
    • (Amino-2 ethyl)-3 indole [French]
    • 2-indol-3-yl-ethylamine
    • NCGC00014994-03
    • HMS3885E17
    • 3-(2-aminoethyl)indole
    • KBio2_000393
    • 5E7B376B-5933-446C-9D88-661B5F480122
    • A8532
    • FS-3317
    • Lopac-246557
    • (3-Indolyl)ethylamine
    • 3-Indoleethylamine
    • SR-01000075589
    • 2-(1H-INDOL-3-YL)-ETHYLAMINE
    • ALBB-017957
    • DivK1c_000862
    • IDI1_000862
    • EINECS 200-510-5
    • Tryptamine, Vetec(TM) reagent grade, 98%
    • Tryptamine, 98%
    • 2-Indol-3-ylethylamine
    • TRYPTAMINE [MI]
    • 5-22-10-00045 (Beilstein Handbook Reference)
    • KBio2_005529
    • NCGC00014994-05
    • BRD-K44218819-001-05-1
    • NINDS_000862
    • 3-(beta-aminoethyl)-indole
    • 3-(2-Aminoethyl)-1H-indole
    • DB-005731
    • 2-(1H-indol-3-yl)ethylamine
    • NCGC00014994-01
    • STK262895
    • tryptamine
    • BBL015353
    • Spectrum_000033
    • BCP21605
    • 3-[2-Aminoethyl]indole
    • Z104478080
    • HMS502L04
    • T-8100
    • BDBM50024210
    • AE-848/30735051
    • Spectrum4_000850
    • GTPL125
    • NCGC00095081-05
    • 61-54-1
    • SMR000112268
    • NCGC00095081-02
    • (Amino-2 ethyl)-3 indole;3-Indoleethylamine
    • 2-(3-Indolyl)ethylamine
    • KBio3_002903
    • Spectrum5_001296
    • 2-(1H-Indol-3-Yl)Ethan-1-Amine
    • 2-(1H-Indol-3-yl)ethanamine #
    • NS00006933
    • SDCCGSBI-0050049.P003
    • SCHEMBL13006684
    • NCGC00095081-04
    • Tryptamine, free base
    • CHEBI:16765
    • L000946
    • NCGC00095081-03
    • 2-(1H-Indol-3-yl)ethanamine
    • 3-Indoleethanamine
    • 1H-Indole-3-ethanamine
    • KBio2_002961
    • T0890
    • Tryptamine

Attributes

  • Canonical SMILES

  • InChI
  • Molecule Class:
  • TPSA:
  • #RotBonds:
  • MW:
  • HBD:
  • HBA:
  • logP:
  • Chemical Formula:


Species

    Species Place of Collection NCBI Taxonomy Voucher Specimen
    T. elegans Mozambique, South Africa, Indonesia 761068 23/SM

External Databases


References

  • Characterization of a Suspension Culture of Tabernaemontana elegans on Growth, Nutrient Uptake, and Accumulation of Indole Alkaloids*. Planta Med, 1989 (PMID 17262332).

Compound-Protein Relationships


Compound Activities

  • No activity found

Predicted NMR Spectral Data


Predicted MS Fragmentation Patternn


Predicted ADMET Properties

    Category Property Name Predicted Value
    Absorption Caco-2 (logPaap) -4.79
    Human Oral Bioavailability 20% Bioavailable
    Human Intestinal Absorption Absorbed
    Madin-Darby Canine Kidney -4.45
    Human Oral Bioavailability 50% Bioavailable
    P-Glycoprotein Inhibitor Non-Inhibitor
    P-Glycoprotein Substrate Non-Substrate
    Skin Permeability -3.11
    Distribution Blood-Brain Barrier (Central Nervous System) -1.88
    Blood-Brain Barrier Penetrable
    Fraction Unbound (Human) 0.47
    Plasma Protein Binding 11.83
    Steady State Volume of Distribution 3.84
    Metabolism Breast Cancer Resistance Protein Inhibitor
    CYP 1A2 Inhibitor Inhibitor
    CYP 1A2 substrate Substrate
    CYP 2C19 Inhibitor Non-Inhibitor
    CYP 2C19 substrate Substrate
    CYP 2C9 Inhibitor Non-Inhibitor
    CYP 2C9 Substrate Non-Substrate
    CYP 2D6 Inhibitor Non-Inhibitor
    CYP 2D6 Substrate Substrate
    CYP 3A4 Inhibitor Non-Inhibitor
    CYP 3A4 Substrate Non-Substrate
    OATP1B1 Non-Inhibitor
    OATP1B3 Non-Inhibitor
    Excretion Clearance 8.9
    Organic Cation Transporter 2 Non-Inhibitor
    Half-Life of Drug Half-Life < 3hs
    Toxicity AMES Mutagenesis Safe
    Avian Safe
    Bee Safe
    Bioconcentration Factor 1.04
    Biodegradation Safe
    Carcinogenesis Safe
    Crustacean Toxic
    Liver Injury I Toxic
    Eye Corrosion Safe
    Eye irritation Toxic
    Maximum Tolerated Dose -0.58
    Liver Injury II Toxic
    hERG Blockers Safe
    Daphnia Maga 5.03
    Micronucleos Toxic
    NR-AhR Toxic
    NR-AR Safe
    NR-AR-LBD Safe
    NR-Aromatase Safe
    NR-ER Safe
    NR-ER-LBD Safe
    NR-GR Safe
    NR-PPAR-gamma Safe
    NR-TR Safe
    T. Pyriformis 3.19
    Rat (Acute) 3.03
    Rat (Chronic Oral) 2.18
    Fathead Minnow 3.73
    Respiratory Disease Safe
    Skin Sensitisation Toxic
    SR-ATAD5 Safe
    SR-ARE Safe
    SR-HSE Safe
    SR-MMP Safe
    SR-p53 Safe
    General Properties Boiling Point 311.54
    Hydration Free Energy -10.1
    Log(D) at pH=7.4 1.09
    Log(P) 1.09
    Log S -1.82
    Log(Vapor Pressure) -4.75
    Melting Point 111.82
    pKa Acid 12.47
    pKa Basic 10.24