benzyl[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]amine

• ChemBase ID: 199126
• Molecular Formular: C21H23NO2
• Molecular Mass: 321.41282
• Monoisotopic Mass: 321.17287898
• SMILES: c1(C(c2c(OC)cccc2)CCNCc2ccccc2)occc1
• Canonical SMILES: COc1ccccc1C(c1ccco1)CCNCc1ccccc1
• InChI: InChI=1S/C21H23NO2/c1-23-20-11-6-5-10-18(20)19(21-12-7-15-24-21)13-14-22-16-17-8-3-2-4-9-17/h2-12,15,19,22H,13-14,16H2,1H3
• InChIKey: FEGQMTFMLAQFDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]amine
• IUPAC Traditional name: benzyl[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]amine

Database IDs

• PubChem SID: 164255036
• PubChem CID: 2929557

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0281497
• LogD (pH = 7.4): 1.8806715
• Log P: 4.234742
• Molar Refractivity: 96.8493 cm^3
• Polarizability: 37.740307 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds