(1S)-N-butyl-1-[4-(3,5-dimethylphenoxy)phenyl]-N-methyl-ethane-1,2-diamine

Systemtic Name: (1S)-N-butyl-1-[4-(3,5-dimethylphenoxy)phenyl]-N-methyl-ethane-1,2-diamine Openeye Name: (1S)-N-butyl-1-[4-(3,5-dimethylphenoxy)phenyl]-N-methyl-ethane-1,2-diamine CAS Name: (1S)-N-butyl-1-[4-(3,5-dimethylphenoxy)phenyl]-N-methylethane-1,2-diamine IUPAC Name: (1S)-N-butyl-1-[4-(3,5-dimethylphenoxy)phenyl]-N-methylethane-1,2-diamine Traditional Name: [(1S)-2-amino-1-[4-(3,5-dimethylphenoxy)phenyl]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=C(C=C1)OC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCN(C)[C@H](CN)C1=CC=C(C=C1)OC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H30N2O/c1-5-6-11-23(4)21(15-22)18-7-9-19(10-8-18)24-20-13-16(2)12-17(3)14-20/h7-10,12-14,21H,5-6,11,15,22H2,1-4H3/t21-/m1/s1