2-(1H-INDOL-3-YL)ETHANAMINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the 3-position by an ethanamine.

Tryptamines and derivatives

Organic compounds

Organoheterocyclic compounds

Indoles and derivatives

Tryptamines and derivatives

Calculated Property

kind Value Source
logP 1.21 ALOGPS
logS -2.1 ALOGPS
Water Solubility 1.34e+00 g/l ALOGPS
logP 1.49 ChemAxon
IUPAC Name 2-(1H-indol-3-yl)ethan-1-amine ChemAxon
Traditional IUPAC Name tryptamine ChemAxon
Molecular Weight 160.2157 ChemAxon
Monoisotopic Weight 160.100048394 ChemAxon
SMILES NCCC1=CNC2=CC=CC=C12 ChemAxon
Molecular Formula C10H12N2 ChemAxon
InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 ChemAxon
InChIKey InChIKey=APJYDQYYACXCRM-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 41.81 ChemAxon
Refractivity 50.37 ChemAxon
Polarizability 18.34 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 17.17 ChemAxon
pKa (strongest basic) 9.73 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Aralkylamine dehydrogenase light chain : in Alcaligenes faecalis
  • Aralkylamine dehydrogenase heavy chain : in Alcaligenes faecalis