(1S)-N-butyl-N-methyl-1-(3-propoxyphenyl)ethane-1,2-diamine

Systemtic Name: (1S)-N-butyl-N-methyl-1-(3-propoxyphenyl)ethane-1,2-diamine Openeye Name: (1S)-N-butyl-N-methyl-1-(3-propoxyphenyl)ethane-1,2-diamine CAS Name: (1S)-N-butyl-N-methyl-1-(3-propoxyphenyl)ethane-1,2-diamine IUPAC Name: (1S)-N-butyl-N-methyl-1-(3-propoxyphenyl)ethane-1,2-diamine Traditional Name: [(1S)-2-amino-1-(3-propoxyphenyl)ethyl]-butyl-methyl-amine Formula: C16H28N2O MolecularWeight: 264.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O/c1-4-6-10-18(3)16(13-17)14-8-7-9-15(12-14)19-11-5-2/h7-9,12,16H,4-6,10-11,13,17H2,1-3H3/t16-/m1/s1