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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(CN)C1=CC(=CC=C1)OCC2=CC=CC(=C2)C

Isomeric SMILES

CCCCN(C)[C@H](CN)C1=CC(=CC=C1)OCC2=CC=CC(=C2)C

InChI

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