[(5-bromo-2-methoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine

• ChemBase ID: 310930
• Molecular Formular: C18H19BrN2O
• Molecular Mass: 359.26026
• Monoisotopic Mass: 358.06807524
• SMILES: [nH]1cc(c2c1cccc2)CCNCc1c(ccc(c1)Br)OC
• Canonical SMILES: COc1ccc(cc1CNCCc1c[nH]c2c1cccc2)Br
• InChI: InChI=1S/C18H19BrN2O/c1-22-18-7-6-15(19)10-14(18)11-20-9-8-13-12-21-17-5-3-2-4-16(13)17/h2-7,10,12,20-21H,8-9,11H2,1H3
• InChIKey: GPAHZRIDPUMZLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-bromo-2-methoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine
• IUPAC Traditional name: [(5-bromo-2-methoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine
• Synonyms: (5-bromo-2-methoxybenzyl)[2-(1H-indol-3-yl)ethyl]amine

Database IDs

• CAS Number: 331970-54-8
• MDL Number: MFCD01134966

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1181076
• LogD (pH = 7.4): 2.3664267
• Log P: 4.2545724
• Molar Refractivity: 93.8461 cm^3
• Polarizability: 37.256813 Å^3
• Polar Surface Area: 37.05 Å^2