[(4-fluorophenyl)(pyridin-2-yl)methyl](methyl)amine

• ChemBase ID: 270387
• Molecular Formular: C13H13FN2
• Molecular Mass: 216.2541232
• Monoisotopic Mass: 216.10627665
• SMILES: C(c1ccc(cc1)F)(c1ncccc1)NC
• Canonical SMILES: CNC(c1ccccn1)c1ccc(cc1)F
• InChI: InChI=1S/C13H13FN2/c1-15-13(12-4-2-3-9-16-12)10-5-7-11(14)8-6-10/h2-9,13,15H,1H3
• InChIKey: MTCJJQRKUPODNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12154225
• PubChem SID: 164326297
• PubChem CID: 50989038

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.30718812
• LogD (pH = 7.4): 1.996782
• Log P: 2.4745255
• Molar Refractivity: 61.2012 cm^3
• Polarizability: 23.873468 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%