(1S)-N-butyl-1-(3-chloranyl-4,5-dimethoxy-phenyl)-N-ethyl-ethane-1,2-diamine

Systemtic Name: (1S)-N-butyl-1-(3-chloranyl-4,5-dimethoxy-phenyl)-N-ethyl-ethane-1,2-diamine Openeye Name: (1S)-N-butyl-1-(3-chloro-4,5-dimethoxy-phenyl)-N-ethyl-ethane-1,2-diamine CAS Name: (1S)-N-butyl-1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine IUPAC Name: (1S)-N-butyl-1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine Traditional Name: [(1S)-2-amino-1-(3-chloro-4,5-dimethoxy-phenyl)ethyl]-butyl-ethyl-amine Formula: C16H27ClN2O2 MolecularWeight: 314.85078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27ClN2O2/c1-5-7-8-19(6-2)14(11-18)12-9-13(17)16(21-4)15(10-12)20-3/h9-10,14H,5-8,11,18H2,1-4H3/t14-/m1/s1