(1S)-1-[2,6-bis(fluoranyl)phenyl]-N-butyl-N-methyl-ethane-1,2-diamine

Systemtic Name: (1S)-1-[2,6-bis(fluoranyl)phenyl]-N-butyl-N-methyl-ethane-1,2-diamine Openeye Name: (1S)-N-butyl-1-(2,6-difluorophenyl)-N-methyl-ethane-1,2-diamine CAS Name: (1S)-N-butyl-1-(2,6-difluorophenyl)-N-methylethane-1,2-diamine IUPAC Name: (1S)-N-butyl-1-(2,6-difluorophenyl)-N-methylethane-1,2-diamine Traditional Name: [(1S)-2-amino-1-(2,6-difluorophenyl)ethyl]-butyl-methyl-amine Formula: C13H20F2N2 MolecularWeight: 242.308106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(CN)C1=C(C=CC=C1F)F

Isomeric SMILES

CCCCN(C)[C@H](CN)C1=C(C=CC=C1F)F

InChI

InChI=1S/C13H20F2N2/c1-3-4-8-17(2)12(9-16)13-10(14)6-5-7-11(13)15/h5-7,12H,3-4,8-9,16H2,1-2H3/t12-/m1/s1