[3-(furan-2-yl)-4-phenylbutyl][(4-methoxyphenyl)methyl]amine

• ChemBase ID: 199543
• Molecular Formular: C22H25NO2
• Molecular Mass: 335.4394
• Monoisotopic Mass: 335.18852905
• SMILES: c1(occc1)C(Cc1ccccc1)CCNCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNCCC(c1ccco1)Cc1ccccc1
• InChI: InChI=1S/C22H25NO2/c1-24-21-11-9-19(10-12-21)17-23-14-13-20(22-8-5-15-25-22)16-18-6-3-2-4-7-18/h2-12,15,20,23H,13-14,16-17H2,1H3
• InChIKey: MCKSLWVUZLNLJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(furan-2-yl)-4-phenylbutyl][(4-methoxyphenyl)methyl]amine
• IUPAC Traditional name: [3-(furan-2-yl)-4-phenylbutyl][(4-methoxyphenyl)methyl]amine

Database IDs

• PubChem SID: 164255453
• PubChem CID: 2930260

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4778854
• LogD (pH = 7.4): 2.3792474
• Log P: 4.679311
• Molar Refractivity: 101.4503 cm^3
• Polarizability: 39.50908 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds