[(4-fluorophenyl)(phenyl)methyl](methyl)amine

• ChemBase ID: 232951
• Molecular Formular: C14H14FN
• Molecular Mass: 215.2660632
• Monoisotopic Mass: 215.11102767
• SMILES: C(c1ccc(cc1)F)(c1ccccc1)NC
• Canonical SMILES: CNC(c1ccccc1)c1ccc(cc1)F
• InChI: InChI=1S/C14H14FN/c1-16-14(11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,14,16H,1H3
• InChIKey: ONUTUHCURYPKKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)(phenyl)methyl](methyl)amine
• IUPAC Traditional name: [(4-fluorophenyl)(phenyl)methyl](methyl)amine
• Synonyms: N-[(4-fluorophenyl)(phenyl)methyl]-N-methylamine

Database IDs

• MDL Number: MFCD06660684
• PubChem SID: 164288861
• PubChem CID: 3857669

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.4466667
• LogD (pH = 7.4): 1.9554535
• Log P: 3.4585369
• Molar Refractivity: 63.8052 cm^3
• Polarizability: 24.7866 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.001

Product Information

• Purity: 95%