(2-chlorophenyl)(2,4-dimethoxyphenyl)methanamine

• ChemBase ID: 284404
• Molecular Formular: C15H16ClNO2
• Molecular Mass: 277.74604
• Monoisotopic Mass: 277.08695644
• SMILES: c1(C(c2c(Cl)cccc2)N)c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1C(c1ccccc1Cl)N
• InChI: InChI=1S/C15H16ClNO2/c1-18-10-7-8-12(14(9-10)19-2)15(17)11-5-3-4-6-13(11)16/h3-9,15H,17H2,1-2H3
• InChIKey: JDCHLYKUKUWNDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12625403
• PubChem SID: 180669935
• PubChem CID: 43197257

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5973849
• LogD (pH = 7.4): 2.2594905
• Log P: 3.1719565
• Molar Refractivity: 76.5454 cm^3
• Polarizability: 30.181276 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.163

Product Information

• Purity: 95%