(2-chlorophenyl)(2-methoxyphenyl)methanamine

• ChemBase ID: 279067
• Molecular Formular: C14H14ClNO
• Molecular Mass: 247.72006
• Monoisotopic Mass: 247.07639175
• SMILES: C(c1c(Cl)cccc1)(c1c(OC)cccc1)N
• Canonical SMILES: COc1ccccc1C(c1ccccc1Cl)N
• InChI: InChI=1S/C14H14ClNO/c1-17-13-9-5-3-7-11(13)14(16)10-6-2-4-8-12(10)15/h2-9,14H,16H2,1H3
• InChIKey: YVVAOCNJPROCGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12863043
• PubChem SID: 164334977
• PubChem CID: 54595122

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.75061494
• LogD (pH = 7.4): 2.411192
• Log P: 3.3296278
• Molar Refractivity: 70.0822 cm^3
• Polarizability: 27.669687 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.074

Product Information

• Purity: 95%