{[6-(4-fluoro-3-methylphenyl)pyridin-3-yl]methyl}dimethylamine

• ChemBase ID: 659802
• Molecular Formular: C15H17FN2
• Molecular Mass: 244.3072832
• Monoisotopic Mass: 244.13757677
• SMILES: n1c(c2cc(c(cc2)F)C)ccc(c1)CN(C)C
• Canonical SMILES: CN(Cc1ccc(nc1)c1ccc(c(c1)C)F)C
• InChI: InChI=1S/C15H17FN2/c1-11-8-13(5-6-14(11)16)15-7-4-12(9-17-15)10-18(2)3/h4-9H,10H2,1-3H3
• InChIKey: IXMOCTUGPPIAKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[6-(4-fluoro-3-methylphenyl)pyridin-3-yl]methyl}dimethylamine
• IUPAC Traditional name: {[6-(4-fluoro-3-methylphenyl)pyridin-3-yl]methyl}dimethylamine
• Synonyms: 1-[6-(4-fluoro-3-methylphenyl)pyridin-3-yl]-N,N-dimethylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6831942
• LogD (pH = 7.4): 2.4559493
• Log P: 3.3861692
• Molar Refractivity: 72.4656 cm^3
• Polarizability: 28.871153 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.78
• LOG S: -2.35
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3