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

• ChemBase ID: 277488
• Molecular Formular: C14H15Cl2N
• Molecular Mass: 268.1816
• Monoisotopic Mass: 267.05815485
• SMILES: c1(C(c2ccc(cc2)C)N)c(Cl)cccc1.Cl
• Canonical SMILES: Cc1ccc(cc1)C(c1ccccc1Cl)N.Cl
• InChI: InChI=1S/C14H14ClN.ClH/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15;/h2-9,14H,16H2,1H3;1H
• InChIKey: PFHLIXXJTSLWJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19982376
• PubChem SID: 164333398
• PubChem CID: 53534545

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1502689
• LogD (pH = 7.4): 2.5805137
• Log P: 4.0007205
• Molar Refractivity: 68.6602 cm^3
• Polarizability: 26.939228 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 227 - 229°C
• Hydrophobicity(logP): 3.654

Product Information

• Purity: 95%