[2-(3-fluorophenyl)phenyl]methanamine

• ChemBase ID: 19477
• Molecular Formular: C13H12FN
• Molecular Mass: 201.2394832
• Monoisotopic Mass: 201.09537761
• SMILES: c1(c2c(CN)cccc2)cc(F)ccc1
• Canonical SMILES: NCc1ccccc1c1cccc(c1)F
• InChI: InChI=1S/C13H12FN/c14-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-15/h1-8H,9,15H2
• InChIKey: LQMKPXGUHMVUGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-fluorophenyl)phenyl]methanamine
• IUPAC Traditional name: [2-(3-fluorophenyl)phenyl]methanamine
• Synonyms: (3'-Fluoro[1,1'-biphenyl]-2-yl)methanamine

Database IDs

• MDL Number: MFCD05979553
• PubChem SID: 160982784
• PubChem CID: 1393644

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.11354567
• LogD (pH = 7.4): 0.6866592
• Log P: 2.8889415
• Molar Refractivity: 59.884 cm^3
• Polarizability: 24.34688 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false