(2-chlorophenyl)(2,4-dimethylphenyl)methanamine hydrochloride

• ChemBase ID: 277926
• Molecular Formular: C15H17Cl2N
• Molecular Mass: 282.20818
• Monoisotopic Mass: 281.07380491
• SMILES: c1(C(c2c(Cl)cccc2)N)c(cc(cc1)C)C.Cl
• Canonical SMILES: Cc1ccc(c(c1)C)C(c1ccccc1Cl)N.Cl
• InChI: InChI=1S/C15H16ClN.ClH/c1-10-7-8-12(11(2)9-10)15(17)13-5-3-4-6-14(13)16;/h3-9,15H,17H2,1-2H3;1H
• InChIKey: CGHZEDGUSHNQKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19982456
• PubChem SID: 164333836
• PubChem CID: 53534401

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6607075
• LogD (pH = 7.4): 3.0857146
• Log P: 4.514142
• Molar Refractivity: 73.7014 cm^3
• Polarizability: 28.70566 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 268 - 270°C
• Hydrophobicity(logP): 4.103

Product Information

• Purity: 95%