(2-chlorophenyl)(3-methoxyphenyl)methanamine

• ChemBase ID: 279081
• Molecular Formular: C14H14ClNO
• Molecular Mass: 247.72006
• Monoisotopic Mass: 247.07639175
• SMILES: c1(C(c2cc(OC)ccc2)N)c(Cl)cccc1
• Canonical SMILES: COc1cccc(c1)C(c1ccccc1Cl)N
• InChI: InChI=1S/C14H14ClNO/c1-17-11-6-4-5-10(9-11)14(16)12-7-2-3-8-13(12)15/h2-9,14H,16H2,1H3
• InChIKey: GWFCQIPXJWTDTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)(3-methoxyphenyl)methanamine
• IUPAC Traditional name: (2-chlorophenyl)(3-methoxyphenyl)methanamine
• Synonyms: (2-chlorophenyl)(3-methoxyphenyl)methanamine

Database IDs

• MDL Number: MFCD12863048
• PubChem SID: 164334991
• PubChem CID: 54595129

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.518913
• LogD (pH = 7.4): 2.0096612
• Log P: 3.3296278
• Molar Refractivity: 70.0822 cm^3
• Polarizability: 27.669436 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%