(2-methoxyphenyl)(4-methoxyphenyl)methanamine

• ChemBase ID: 242641
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: c1(C(c2ccc(cc2)OC)N)c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1OC)N
• InChI: InChI=1S/C15H17NO2/c1-17-12-9-7-11(8-10-12)15(16)13-5-3-4-6-14(13)18-2/h3-10,15H,16H2,1-2H3
• InChIKey: YFEPNAXCRDJMES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09811366
• PubChem SID: 164298551
• PubChem CID: 24689204

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.15976459
• LogD (pH = 7.4): 1.4181938
• Log P: 2.5679119
• Molar Refractivity: 71.7406 cm^3
• Polarizability: 28.334366 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58 - 60°C
• Hydrophobicity(logP): 2.28

Product Information

• Purity: 95%