[2-(4-chlorophenyl)phenyl]methanamine

• ChemBase ID: 268439
• Molecular Formular: C13H12ClN
• Molecular Mass: 217.69408
• Monoisotopic Mass: 217.06582707
• SMILES: c1(c2ccc(cc2)Cl)c(CN)cccc1
• Canonical SMILES: NCc1ccccc1c1ccc(cc1)Cl
• InChI: InChI=1S/C13H12ClN/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15/h1-8H,9,15H2
• InChIKey: CCKHPQSDPSPFSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-chlorophenyl)phenyl]methanamine
• IUPAC Traditional name: [2-(4-chlorophenyl)phenyl]methanamine
• Synonyms: [2-(4-chlorophenyl)phenyl]methanamine

Database IDs

• MDL Number: MFCD05981938
• PubChem SID: 164324349
• PubChem CID: 1393509

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.34751904
• LogD (pH = 7.4): 1.1445272
• Log P: 3.3502843
• Molar Refractivity: 64.4724 cm^3
• Polarizability: 26.58393 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.395

Product Information

• Purity: 95%