[(4-chlorophenyl)(4-fluorophenyl)methyl](methyl)amine

• ChemBase ID: 286651
• Molecular Formular: C14H13ClFN
• Molecular Mass: 249.7111232
• Monoisotopic Mass: 249.07205532
• SMILES: C(c1ccc(cc1)F)(c1ccc(cc1)Cl)NC
• Canonical SMILES: CNC(c1ccc(cc1)Cl)c1ccc(cc1)F
• InChI: InChI=1S/C14H13ClFN/c1-17-14(10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,14,17H,1H3
• InChIKey: DEIGSCGTJVUWPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-chlorophenyl)(4-fluorophenyl)methyl](methyl)amine
• IUPAC Traditional name: [(4-chlorophenyl)(4-fluorophenyl)methyl](methyl)amine
• Synonyms: [(4-chlorophenyl)(4-fluorophenyl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD12472657
• PubChem SID: 180672182
• PubChem CID: 43481325

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1128871
• LogD (pH = 7.4): 2.690522
• Log P: 4.0625815
• Molar Refractivity: 68.61 cm^3
• Polarizability: 26.632036 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.714

Product Information

• Purity: 95%