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

• ChemBase ID: 312086
• Molecular Formular: C13H13FN2
• Molecular Mass: 216.2541232
• Monoisotopic Mass: 216.10627665
• SMILES: n1c(CNCc2ccc(F)cc2)cccc1
• Canonical SMILES: Fc1ccc(cc1)CNCc1ccccn1
• InChI: InChI=1S/C13H13FN2/c14-12-6-4-11(5-7-12)9-15-10-13-3-1-2-8-16-13/h1-8,15H,9-10H2
• InChIKey: KLPCSGOZPBAIQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl](pyridin-2-ylmethyl)amine
• IUPAC Traditional name: [(4-fluorophenyl)methyl](pyridin-2-ylmethyl)amine
• Synonyms: (4-fluorobenzyl)(2-pyridinylmethyl)amine hydrochloride

Database IDs

• CAS Number: 774556-83-1
• MDL Number: MFCD11099374

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.07484437
• LogD (pH = 7.4): 1.7695497
• Log P: 2.2625692
• Molar Refractivity: 61.4559 cm^3
• Polarizability: 23.87575 Å^3
• Polar Surface Area: 24.92 Å^2