(2-fluorophenyl)(phenyl)methanamine hydrochloride

• ChemBase ID: 31145
• Molecular Formular: C13H13ClFN
• Molecular Mass: 237.7004232
• Monoisotopic Mass: 237.07205532
• SMILES: c1(C(c2ccccc2)N)c(F)cccc1.Cl
• Canonical SMILES: Fc1ccccc1C(c1ccccc1)N.Cl
• InChI: InChI=1S/C13H12FN.ClH/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;/h1-9,13H,15H2;1H
• InChIKey: IZYYSAMSFYQPBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluorophenyl)(phenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-fluorophenyl)(phenyl)methanamine hydrochloride
• Synonyms: C-(2-Fluoro-phenyl)-C-phenyl-methylamine hydrochloride

Database IDs

• MDL Number: MFCD11506542
• PubChem SID: 160994452
• PubChem CID: 46736478

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2640371
• LogD (pH = 7.4): 1.8110572
• Log P: 3.0259564
• Molar Refractivity: 59.0306 cm^3
• Polarizability: 22.94116 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