(1S)-N-butyl-1-(3,4-dimethoxyphenyl)-N-ethyl-ethane-1,2-diamine

Systemtic Name: (1S)-N-butyl-1-(3,4-dimethoxyphenyl)-N-ethyl-ethane-1,2-diamine Openeye Name: (1S)-N-butyl-1-(3,4-dimethoxyphenyl)-N-ethyl-ethane-1,2-diamine CAS Name: (1S)-N-butyl-1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine IUPAC Name: (1S)-N-butyl-1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine Traditional Name: [(1S)-2-amino-1-(3,4-dimethoxyphenyl)ethyl]-butyl-ethyl-amine Formula: C16H28N2O2 MolecularWeight: 280.40572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(CN)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O2/c1-5-7-10-18(6-2)14(12-17)13-8-9-15(19-3)16(11-13)20-4/h8-9,11,14H,5-7,10,12,17H2,1-4H3/t14-/m1/s1