benzyl[(4-fluorophenyl)methyl]amine

• ChemBase ID: 13196
• Molecular Formular: C14H14FN
• Molecular Mass: 215.2660632
• Monoisotopic Mass: 215.11102767
• SMILES: c1cccc(c1)CNCc1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)CNCc1ccccc1
• InChI: InChI=1S/C14H14FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
• InChIKey: SXZSRGKJZKOZRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[(4-fluorophenyl)methyl]amine
• IUPAC Traditional name: benzyl[(4-fluorophenyl)methyl]amine
• Synonyms: Benzyl-(4-fluoro-benzyl)-amine; N-benzyl-1-(4-fluorophenyl)methanamine; benzyl[(4-fluorophenyl)methyl]amine

Database IDs

• CAS Number: 55096-88-3
• MDL Number: MFCD00716882
• PubChem SID: 160976503
• PubChem CID: 784761

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.37606406
• LogD (pH = 7.4): 1.870142
• Log P: 3.3987696
• Molar Refractivity: 64.135 cm^3
• Polarizability: 24.788967 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.811

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%