(4-fluorophenyl)(phenyl)methanamine hydrochloride

• ChemBase ID: 258278
• Molecular Formular: C13H13ClFN
• Molecular Mass: 237.7004232
• Monoisotopic Mass: 237.07205532
• SMILES: C(c1ccc(cc1)F)(c1ccccc1)N.Cl
• Canonical SMILES: Fc1ccc(cc1)C(c1ccccc1)N.Cl
• InChI: InChI=1S/C13H12FN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H
• InChIKey: VYDDTTCGUSKBOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)(phenyl)methanamine hydrochloride
• IUPAC Traditional name: (4-fluorophenyl)(phenyl)methanamine hydrochloride
• Synonyms: (4-fluorophenyl)(phenyl)methylamine hydrochloride

Database IDs

• CAS Number: 451503-41-6
• MDL Number: MFCD08544211
• PubChem SID: 164314188
• PubChem CID: 21528804

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.123092316
• LogD (pH = 7.4): 1.4414266
• Log P: 3.0259564
• Molar Refractivity: 59.0306 cm^3
• Polarizability: 22.941355 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 289 - 291°C
• Hydrophobicity(logP): 2.585

Product Information

• Purity: 95%