[(2-chlorophenyl)methyl][(4-phenylphenyl)methyl]amine

• ChemBase ID: 28770
• Molecular Formular: C20H18ClN
• Molecular Mass: 307.81662
• Monoisotopic Mass: 307.11277726
• SMILES: c1(c(Cl)cccc1)CNCc1ccc(c2ccccc2)cc1
• Canonical SMILES: Clc1ccccc1CNCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C20H18ClN/c21-20-9-5-4-8-19(20)15-22-14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-13,22H,14-15H2
• InChIKey: STTKPYJNLOSPCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chlorophenyl)methyl][(4-phenylphenyl)methyl]amine
• IUPAC Traditional name: [(2-chlorophenyl)methyl][(4-phenylphenyl)methyl]amine
• Synonyms: N-([1,1'-Biphenyl]-4-ylmethyl)(2-chlorophenyl)-methanamine

Database IDs

• MDL Number: MFCD07407298
• PubChem SID: 160992077
• PubChem CID: 4719074

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8380919
• LogD (pH = 7.4): 4.554744
• Log P: 5.5073376
• Molar Refractivity: 93.8596 cm^3
• Polarizability: 38.077526 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false