(furan-2-ylmethyl)[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]amine

• ChemBase ID: 191198
• Molecular Formular: C24H29NO3
• Molecular Mass: 379.49196
• Monoisotopic Mass: 379.21474379
• SMILES: c1(C(c2ccc(OC(C)C)cc2)CCNCc2occc2)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCNCc1ccco1
• InChI: InChI=1S/C24H29NO3/c1-18(2)28-20-12-10-19(11-13-20)22(23-8-4-5-9-24(23)26-3)14-15-25-17-21-7-6-16-27-21/h4-13,16,18,22,25H,14-15,17H2,1-3H3
• InChIKey: WOMOOTSCJMEEFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]amine
• IUPAC Traditional name: (furan-2-ylmethyl)[3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]amine

Database IDs

• PubChem SID: 164247108
• PubChem CID: 2944981

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0066125
• LogD (pH = 7.4): 3.6084137
• Log P: 4.9284077
• Molar Refractivity: 112.4029 cm^3
• Polarizability: 43.92587 Å^3
• Polar Surface Area: 43.63 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds