[(2,4-difluorophenyl)(pyridin-3-yl)methyl](methyl)amine

• ChemBase ID: 270734
• Molecular Formular: C13H12F2N2
• Molecular Mass: 234.2445864
• Monoisotopic Mass: 234.09685483
• SMILES: c1(c(cc(cc1)F)F)C(c1cnccc1)NC
• Canonical SMILES: CNC(c1ccc(cc1F)F)c1cccnc1
• InChI: InChI=1S/C13H12F2N2/c1-16-13(9-3-2-6-17-8-9)11-5-4-10(14)7-12(11)15/h2-8,13,16H,1H3
• InChIKey: JBKGTSYIPQWMDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,4-difluorophenyl)(pyridin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(2,4-difluorophenyl)(pyridin-3-yl)methyl](methyl)amine
• Synonyms: [(2,4-difluorophenyl)(pyridin-3-yl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD12418595
• PubChem SID: 164326644
• PubChem CID: 43484105

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.116833486
• LogD (pH = 7.4): 1.8304379
• Log P: 2.3835664
• Molar Refractivity: 61.8647 cm^3
• Polarizability: 23.548553 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.647

Product Information

• Purity: 95%