[2-(2,4-dichlorophenyl)phenyl]methanamine

• ChemBase ID: 238503
• Molecular Formular: C13H11Cl2N
• Molecular Mass: 252.13914
• Monoisotopic Mass: 251.02685472
• SMILES: c1(c(cc(cc1)Cl)Cl)c1c(CN)cccc1
• Canonical SMILES: NCc1ccccc1c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C13H11Cl2N/c14-10-5-6-12(13(15)7-10)11-4-2-1-3-9(11)8-16/h1-7H,8,16H2
• InChIKey: NUOPVWPBGUZVPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14650746
• PubChem SID: 164294413
• PubChem CID: 61271388

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9525695
• LogD (pH = 7.4): 1.7610202
• Log P: 3.954329
• Molar Refractivity: 69.2772 cm^3
• Polarizability: 28.390692 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.858

Product Information

• Purity: 95%