[(5-bromo-2-methoxyphenyl)methyl][2-(4-methoxyphenyl)ethyl]amine

• ChemBase ID: 311040
• Molecular Formular: C17H20BrNO2
• Molecular Mass: 350.2502
• Monoisotopic Mass: 349.06774089
• SMILES: c1(c(ccc(c1)Br)OC)CNCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNCc1cc(Br)ccc1OC
• InChI: InChI=1S/C17H20BrNO2/c1-20-16-6-3-13(4-7-16)9-10-19-12-14-11-15(18)5-8-17(14)21-2/h3-8,11,19H,9-10,12H2,1-2H3
• InChIKey: OLTBNALPOCANCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-bromo-2-methoxyphenyl)methyl][2-(4-methoxyphenyl)ethyl]amine
• IUPAC Traditional name: [(5-bromo-2-methoxyphenyl)methyl][2-(4-methoxyphenyl)ethyl]amine
• Synonyms: (5-bromo-2-methoxybenzyl)[2-(4-methoxyphenyl)ethyl]amine

Database IDs

• CAS Number: 355382-22-8
• MDL Number: MFCD01135498

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.90074617
• LogD (pH = 7.4): 2.259118
• Log P: 3.9981391
• Molar Refractivity: 89.2228 cm^3
• Polarizability: 34.617188 Å^3
• Polar Surface Area: 30.49 Å^2