(2S)-2-[4-(3-methylbutyl)piperazin-1-yl]-2-(2-methylphenyl)ethanamine

Systemtic Name: (2S)-2-[4-(3-methylbutyl)piperazin-1-yl]-2-(2-methylphenyl)ethanamine Openeye Name: (2S)-2-(4-isopentylpiperazin-1-yl)-2-(o-tolyl)ethanamine CAS Name: (2S)-2-[4-(3-methylbutyl)-1-piperazinyl]-2-(2-methylphenyl)ethanamine IUPAC Name: (2S)-2-[4-(3-methylbutyl)piperazin-1-yl]-2-(2-methylphenyl)ethanamine Traditional Name: [(2S)-2-(4-isoamylpiperazino)-2-(o-tolyl)ethyl]amine Formula: C18H31N3 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CN)N2CCN(CC2)CCC(C)C

Isomeric SMILES

CC1=CC=CC=C1[C@@H](CN)N2CCN(CC2)CCC(C)C

InChI

InChI=1S/C18H31N3/c1-15(2)8-9-20-10-12-21(13-11-20)18(14-19)17-7-5-4-6-16(17)3/h4-7,15,18H,8-14,19H2,1-3H3/t18-/m1/s1