Molecule ID: 184147

IUPAC Name: (1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine

Description: The molecule is a 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine that has (S)-configuration (the racemate is a non-opioid analgesic drug). It is a conjugate base of a (S)-nefopam(1+). It is an enantiomer of a (R)-nefopam.

SMILES: CN1CCO[C@@H](c2ccccc2)c2ccccc2C1

SELFIES: [C][N][C][C][O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C]

InChI: InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 12.5 Ų
- LogP: 2.9