Molecule ID: 3678

IUPAC Name: N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine

Description: The molecule is a tertiary amine having one ethyl and two 3-phenylprop-1-yl groups attached to the nitrogen. An antispasmodic that acts directly on intestinal and uterine smooth muscle, it is used (particularly as the citrate salt) in the treatment of irritable bowel syndrome. It has a role as an antispasmodic drug. It is a conjugate base of an alverine(1+).

SMILES: CCN(CCCc1ccccc1)CCCc1ccccc1

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

InChI: InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3

Molecular Properties:
- Polar Surface Area: 3.2 Ų
- LogP: 5.3