(1S)-N-butyl-N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]ethane-1,2-diamine

Systemtic Name: (1S)-N-butyl-N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]ethane-1,2-diamine Openeye Name: (1S)-N-butyl-N-methyl-1-[3-(o-tolylmethoxy)phenyl]ethane-1,2-diamine CAS Name: (1S)-N-butyl-N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]ethane-1,2-diamine IUPAC Name: (1S)-N-butyl-N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]ethane-1,2-diamine Traditional Name: [(1S)-2-amino-1-[3-(2-methylbenzyl)oxyphenyl]ethyl]-butyl-methyl-amine Formula: C21H30N2O MolecularWeight: 326.4757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(CN)C1=CC(=CC=C1)OCC2=CC=CC=C2C

Isomeric SMILES

CCCCN(C)[C@H](CN)C1=CC(=CC=C1)OCC2=CC=CC=C2C

InChI

InChI=1S/C21H30N2O/c1-4-5-13-23(3)21(15-22)18-11-8-12-20(14-18)24-16-19-10-7-6-9-17(19)2/h6-12,14,21H,4-5,13,15-16,22H2,1-3H3/t21-/m1/s1