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

• ChemBase ID: 190782
• Molecular Formular: C24H29NO2
• Molecular Mass: 363.49256
• Monoisotopic Mass: 363.21982917
• SMILES: c1(occc1)CNCCC(c1ccc(OC(C)C)cc1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)C(c1ccc(cc1)OC(C)C)CCNCc1ccco1
• InChI: InChI=1S/C24H29NO2/c1-18(2)27-22-12-10-21(11-13-22)24(20-8-6-19(3)7-9-20)14-15-25-17-23-5-4-16-26-23/h4-13,16,18,24-25H,14-15,17H2,1-3H3
• InChIKey: HUBOVUBOIUBELR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246692
• PubChem CID: 3469715

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6540244
• LogD (pH = 7.4): 4.235541
• Log P: 5.5995007
• Molar Refractivity: 110.9809 cm^3
• Polarizability: 43.197075 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds