(2-chlorophenyl)(4-ethylphenyl)methanamine

• ChemBase ID: 277914
• Molecular Formular: C15H16ClN
• Molecular Mass: 245.74724
• Monoisotopic Mass: 245.0971272
• SMILES: c1(C(c2ccc(cc2)CC)N)c(Cl)cccc1
• Canonical SMILES: CCc1ccc(cc1)C(c1ccccc1Cl)N
• InChI: InChI=1S/C15H16ClN/c1-2-11-7-9-12(10-8-11)15(17)13-5-3-4-6-14(13)16/h3-10,15H,2,17H2,1H3
• InChIKey: ZVCZYSGHYXPOLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)(4-ethylphenyl)methanamine
• IUPAC Traditional name: (2-chlorophenyl)(4-ethylphenyl)methanamine
• Synonyms: (2-chlorophenyl)(4-ethylphenyl)methanamine

Database IDs

• MDL Number: MFCD11148355
• PubChem SID: 164333824
• PubChem CID: 43197630

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.596407
• LogD (pH = 7.4): 3.0293634
• Log P: 4.445289
• Molar Refractivity: 73.2612 cm^3
• Polarizability: 28.784557 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.183

Product Information

• Purity: 95%