bis(3-methoxyphenyl)methanamine

• ChemBase ID: 286367
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: c1(C(c2cc(OC)ccc2)N)cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C(c1cccc(c1)OC)N
• InChI: InChI=1S/C15H17NO2/c1-17-13-7-3-5-11(9-13)15(16)12-6-4-8-14(10-12)18-2/h3-10,15H,16H2,1-2H3
• InChIKey: PHVIVWGJFJLQLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12605374
• PubChem SID: 180671898
• PubChem CID: 60799309

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.31166652
• LogD (pH = 7.4): 1.0621524
• Log P: 2.5679119
• Molar Refractivity: 71.7406 cm^3
• Polarizability: 28.334158 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.28

Product Information

• Purity: 95%