(2R,3S,7S)-7-(2-methylpropyl)-2-phenyl-azepan-3-amine

Systemtic Name: (2R,3S,7S)-7-(2-methylpropyl)-2-phenyl-azepan-3-amine Openeye Name: (2R,3S,7S)-7-isobutyl-2-phenyl-azepan-3-amine CAS Name: (2R,3S,7S)-7-(2-methylpropyl)-2-phenyl-3-azepanamine IUPAC Name: (2R,3S,7S)-7-(2-methylpropyl)-2-phenylazepan-3-amine Traditional Name: [(2R,3S,7S)-7-isobutyl-2-phenyl-azepan-3-yl]amine Formula: C16H26N2 MolecularWeight: 246.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CCCC(C(N1)C2=CC=CC=C2)N

Isomeric SMILES

CC(C)C[C@@H]1CCC[C@@H]([C@H](N1)C2=CC=CC=C2)N

InChI

InChI=1S/C16H26N2/c1-12(2)11-14-9-6-10-15(17)16(18-14)13-7-4-3-5-8-13/h3-5,7-8,12,14-16,18H,6,9-11,17H2,1-2H3/t14-,15-,16+/m0/s1