Molecule ID: 3451347

IUPAC Name: 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol

Description: The molecule is a secondary amino compound that is N-methylethanamine substituted by a 1-hydroxycyclohexyl and a 4-hydroxyphenyl group at position 1. It is a metabolite of the drug venlafaxine. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of cyclohexanols, a member of phenols and a secondary amino compound.

SMILES: CNCC(c1ccc(O)cc1)C1(O)CCCCC1

SELFIES: [C][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1]

InChI: InChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3

Molecular Properties:
- Polar Surface Area: 52.5 Ų
- LogP: 2.7