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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(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)7-8-20-9-11-21(12-10-20)18(14-19)17-6-4-5-16(3)13-17/h4-6,13,15,18H,7-12,14,19H2,1-3H3/t18-/m1/s1