Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.


Organic compounds

Organoheterocyclic compounds

Indoles and derivatives


Calculated Property

kind Value Source
logP 0.72 ALOGPS
logS -1.5 ALOGPS
Water Solubility 5.89e+00 g/l ALOGPS
logP 0.89 ChemAxon
IUPAC Name (1S)-1-amino-2-(1H-indol-3-yl)ethan-1-ol ChemAxon
Traditional IUPAC Name (1S)-1-amino-2-(1H-indol-3-yl)ethanol ChemAxon
Molecular Weight 176.2151 ChemAxon
Monoisotopic Weight 176.094963016 ChemAxon
SMILES [H][C@](N)(O)CC1=CNC2=CC=CC=C12 ChemAxon
Molecular Formula C10H12N2O ChemAxon
InChI InChI=1S/C10H12N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5,11H2/t10-/m0/s1 ChemAxon
Polar Surface Area (PSA) 62.04 ChemAxon
Refractivity 51.51 ChemAxon
Polarizability 18.93 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 14.15 ChemAxon
pKa (strongest basic) 8.92 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