[(3-fluoro-4-methylphenyl)methyl](pyridin-4-ylmethyl)amine

• ChemBase ID: 15650
• Molecular Formular: C14H15FN2
• Molecular Mass: 230.2807032
• Monoisotopic Mass: 230.12192671
• SMILES: c1(ccc(cc1F)CNCc1ccncc1)C
• Canonical SMILES: Cc1ccc(cc1F)CNCc1ccncc1
• InChI: InChI=1S/C14H15FN2/c1-11-2-3-13(8-14(11)15)10-17-9-12-4-6-16-7-5-12/h2-8,17H,9-10H2,1H3
• InChIKey: YAYVOMXTLHSGCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-fluoro-4-methylphenyl)methyl](pyridin-4-ylmethyl)amine
• IUPAC Traditional name: [(3-fluoro-4-methylphenyl)methyl](pyridin-4-ylmethyl)amine
• Synonyms: (3-Fluoro-4-methylbenzyl)(pyridin-4-ylmethyl)amine

Database IDs

• MDL Number: MFCD06800749
• PubChem SID: 160978957
• PubChem CID: 23004707

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.16035268
• LogD (pH = 7.4): 1.488452
• Log P: 2.6945186
• Molar Refractivity: 67.0193 cm^3
• Polarizability: 25.641369 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false