(1S)-1-(3-bromanyl-4-fluoranyl-phenyl)-N-butyl-N-methyl-ethane-1,2-diamine

Systemtic Name: (1S)-1-(3-bromanyl-4-fluoranyl-phenyl)-N-butyl-N-methyl-ethane-1,2-diamine Openeye Name: (1S)-1-(3-bromo-4-fluoro-phenyl)-N-butyl-N-methyl-ethane-1,2-diamine CAS Name: (1S)-1-(3-bromo-4-fluorophenyl)-N-butyl-N-methylethane-1,2-diamine IUPAC Name: (1S)-1-(3-bromo-4-fluorophenyl)-N-butyl-N-methylethane-1,2-diamine Traditional Name: [(1S)-2-amino-1-(3-bromo-4-fluoro-phenyl)ethyl]-butyl-methyl-amine Formula: C13H20BrFN2 MolecularWeight: 303.213703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrFN2/c1-3-4-7-17(2)13(9-16)10-5-6-12(15)11(14)8-10/h5-6,8,13H,3-4,7,9,16H2,1-2H3/t13-/m1/s1