[(3,4-difluorophenyl)(pyridin-3-yl)methyl](methyl)amine

• ChemBase ID: 270384
• Molecular Formular: C13H12F2N2
• Molecular Mass: 234.2445864
• Monoisotopic Mass: 234.09685483
• SMILES: c1(cc(c(cc1)F)F)C(c1cnccc1)NC
• Canonical SMILES: CNC(c1ccc(c(c1)F)F)c1cccnc1
• InChI: InChI=1S/C13H12F2N2/c1-16-13(10-3-2-6-17-8-10)9-4-5-11(14)12(15)7-9/h2-8,13,16H,1H3
• InChIKey: WGYMWGKOPIUFDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-difluorophenyl)(pyridin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(3,4-difluorophenyl)(pyridin-3-yl)methyl](methyl)amine
• Synonyms: [(3,4-difluorophenyl)(pyridin-3-yl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD12418677
• PubChem SID: 164326294
• PubChem CID: 43484551

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.24409418
• LogD (pH = 7.4): 1.4815243
• Log P: 2.3835664
• Molar Refractivity: 61.8647 cm^3
• Polarizability: 23.546598 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.577

Product Information

• Purity: 95%