Molecule ID: 526668

IUPAC Name: ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate

Description: The molecule is an amino acid ester that is the ethyl ester of cyclohex-3-ene-1-carboxylic acid in which the cyclohexane ring is substituted at positions 1 and 2 by phenyl and methylamino groups, respectively. It is a secondary amino compound, an ethyl ester and a beta-amino acid ester.

SMILES: CCOC(=O)C1(c2ccccc2)CCC=CC1NC

SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][Ring1][N][N][C]

InChI: InChI=1S/C16H21NO2/c1-3-19-15(18)16(13-9-5-4-6-10-13)12-8-7-11-14(16)17-2/h4-7,9-11,14,17H,3,8,12H2,1-2H3

Molecular Properties:
- Polar Surface Area: 38.3 Ų
- LogP: 3.1