Molecule ID: 9900225

IUPAC Name: 1-[(4-butylphenyl)methyl]isoquinoline

Description: The molecule is a member of the class of isoquinolines that is 1-benzylisoquinoline carrying an additional butyl substituent at position 4 on the phenyl ring.

SMILES: CCCCc1ccc(Cc2nccc3ccccc23)cc1

SELFIES: [C][C][C][C][C][=C][C][=C][Branch1][S][C][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][P]

InChI: InChI=1S/C20H21N/c1-2-3-6-16-9-11-17(12-10-16)15-20-19-8-5-4-7-18(19)13-14-21-20/h4-5,7-14H,2-3,6,15H2,1H3

Molecular Properties:
- Polar Surface Area: 12.9 Ų
- LogP: 5.9