[2-(4-fluorophenyl)ethyl](pyridin-3-ylmethyl)amine

• ChemBase ID: 311003
• Molecular Formular: C14H15FN2
• Molecular Mass: 230.2807032
• Monoisotopic Mass: 230.12192671
• SMILES: n1cc(CNCCc2ccc(F)cc2)ccc1
• Canonical SMILES: Fc1ccc(cc1)CCNCc1cccnc1
• InChI: InChI=1S/C14H15FN2/c15-14-5-3-12(4-6-14)7-9-17-11-13-2-1-8-16-10-13/h1-6,8,10,17H,7,9,11H2
• InChIKey: GSKXNNTYCHZKLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-fluorophenyl)ethyl](pyridin-3-ylmethyl)amine
• IUPAC Traditional name: [2-(4-fluorophenyl)ethyl](pyridin-3-ylmethyl)amine
• Synonyms: 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)ethanamine

Database IDs

• CAS Number: 355816-18-1
• MDL Number: MFCD01134918

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6874852
• LogD (pH = 7.4): 0.49104962
• Log P: 2.4697585
• Molar Refractivity: 66.7331 cm^3
• Polarizability: 25.642912 Å^3
• Polar Surface Area: 24.92 Å^2