(2-chlorophenyl)(4-fluorophenyl)methanamine hydrochloride

• ChemBase ID: 259738
• Molecular Formular: C13H12Cl2FN
• Molecular Mass: 272.1454832
• Monoisotopic Mass: 271.03308297
• SMILES: c1(C(c2ccc(cc2)F)N)c(Cl)cccc1.Cl
• Canonical SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)N.Cl
• InChI: InChI=1S/C13H11ClFN.ClH/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9;/h1-8,13H,16H2;1H
• InChIKey: UDJHOYCZXWLSGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)(4-fluorophenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-chlorophenyl)(4-fluorophenyl)methanamine hydrochloride
• Synonyms: (2-chlorophenyl)(4-fluorophenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD12197022
• PubChem SID: 164315648
• PubChem CID: 42944926

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8157291
• LogD (pH = 7.4): 2.3016803
• Log P: 3.630001
• Molar Refractivity: 63.8354 cm^3
• Polarizability: 24.797138 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 280 - 282°C
• Hydrophobicity(logP): 3.298

Product Information

• Purity: 95%