(2S)-N2,N2-dimethyl-4-(3-methylphenoxy)butane-1,2-diamine

Systemtic Name: (2S)-N2,N2-dimethyl-4-(3-methylphenoxy)butane-1,2-diamine Openeye Name: (2S)-N2,N2-dimethyl-4-(3-methylphenoxy)butane-1,2-diamine CAS Name: (2S)-N2,N2-dimethyl-4-(3-methylphenoxy)butane-1,2-diamine IUPAC Name: (2S)-2-N,2-N-dimethyl-4-(3-methylphenoxy)butane-1,2-diamine Traditional Name: [(1S)-1-(aminomethyl)-3-(3-methylphenoxy)propyl]-dimethyl-amine Formula: C13H22N2O MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(CN)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC[C@@H](CN)N(C)C

InChI

InChI=1S/C13H22N2O/c1-11-5-4-6-13(9-11)16-8-7-12(10-14)15(2)3/h4-6,9,12H,7-8,10,14H2,1-3H3/t12-/m0/s1