(3S,4R)-1-(6-fluoro-4-methylquinolin-2-yl)-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine

• ChemBase ID: 613417
• Molecular Formular: C23H26FN3
• Molecular Mass: 363.4710432
• Monoisotopic Mass: 363.21107607
• SMILES: N1(c2nc3c(c(c2)C)cc(cc3)F)C[C@H]([C@@H](C1)N(C)C)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)[C@@H]1CN(C[C@H]1N(C)C)c1cc(C)c2c(n1)ccc(c2)F
• InChI: InChI=1S/C23H26FN3/c1-15-5-7-17(8-6-15)20-13-27(14-22(20)26(3)4)23-11-16(2)19-12-18(24)9-10-21(19)25-23/h5-12,20,22H,13-14H2,1-4H3/t20-,22+/m0/s1
• InChIKey: UTROMIPUASGNQP-RBBKRZOGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4R)-1-(6-fluoro-4-methylquinolin-2-yl)-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine
• IUPAC Traditional name: (3S,4R)-1-(6-fluoro-4-methylquinolin-2-yl)-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine
• Synonyms: (3S*,4R*)-1-(6-fluoro-4-methyl-2-quinolinyl)-N,N-dimethyl-4-(4-methylphenyl)-3-pyrrolidinamine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: false
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.283701
• LogD (pH = 7.4): 3.8964093
• Log P: 5.5829206
• Molar Refractivity: 110.1173 cm^3
• Polarizability: 42.65048 Å^3
• Polar Surface Area: 19.37 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 3
• H Acceptors: 2
• H Donor: 0
• Log P: 3.4
• LOG S: -3.75
• Polar Surface Area: 19.37 Å^2