2-fluoro-1-(4-phenylphenyl)ethan-1-amine

• ChemBase ID: 280115
• Molecular Formular: C14H14FN
• Molecular Mass: 215.2660632
• Monoisotopic Mass: 215.11102767
• SMILES: c1(ccc(cc1)C(N)CF)c1ccccc1
• Canonical SMILES: FCC(c1ccc(cc1)c1ccccc1)N
• InChI: InChI=1S/C14H14FN/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10,16H2
• InChIKey: IZDVENKECHNYCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-1-(4-phenylphenyl)ethan-1-amine
• IUPAC Traditional name: 2-fluoro-1-(4-phenylphenyl)ethanamine
• Synonyms: 1-(1,1'-biphenyl-4-yl)-2-fluoroethanamine

Database IDs

• MDL Number: MFCD09040711
• PubChem SID: 180665646
• PubChem CID: 16228757

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.3150993
• LogD (pH = 7.4): 1.9196333
• Log P: 3.0069964
• Molar Refractivity: 63.938 cm^3
• Polarizability: 26.22064 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.014

Product Information

• Purity: 95%