(4S)-2-methyl-N-[(1S)-1-phenylethyl]octan-4-amine

Systemtic Name: (4S)-2-methyl-N-[(1S)-1-phenylethyl]octan-4-amine Openeye Name: (4S)-2-methyl-N-[(1S)-1-phenylethyl]octan-4-amine CAS Name: (4S)-2-methyl-N-[(1S)-1-phenylethyl]-4-octanamine IUPAC Name: (4S)-2-methyl-N-[(1S)-1-phenylethyl]octan-4-amine Traditional Name: [(1S)-1-isobutylpentyl]-[(1S)-1-phenylethyl]amine Formula: C17H29N MolecularWeight: 247.41886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C)C)NC(C)C1=CC=CC=C1

Isomeric SMILES

CCCC[C@@H](CC(C)C)N[C@@H](C)C1=CC=CC=C1

InChI

InChI=1S/C17H29N/c1-5-6-12-17(13-14(2)3)18-15(4)16-10-8-7-9-11-16/h7-11,14-15,17-18H,5-6,12-13H2,1-4H3/t15-,17-/m0/s1