[(4-fluorophenyl)(pyridin-3-yl)methyl](methyl)amine

• ChemBase ID: 270398
• Molecular Formular: C13H13FN2
• Molecular Mass: 216.2541232
• Monoisotopic Mass: 216.10627665
• SMILES: C(c1cnccc1)(c1ccc(cc1)F)NC
• Canonical SMILES: CNC(c1cccnc1)c1ccc(cc1)F
• InChI: InChI=1S/C13H13FN2/c1-15-13(11-3-2-8-16-9-11)10-4-6-12(14)7-5-10/h2-9,13,15H,1H3
• InChIKey: DABUWFPZDWZBCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12181977
• PubChem SID: 164326308
• PubChem CID: 22660898

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5477278
• LogD (pH = 7.4): 1.1343024
• Log P: 2.2408643
• Molar Refractivity: 61.6483 cm^3
• Polarizability: 23.872648 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.504

Product Information

• Purity: 95%