[(4-methoxyphenyl)methyl]({2-[4-phenyl-2-(propan-2-yl)oxan-4-yl]ethyl})amine

• ChemBase ID: 192076
• Molecular Formular: C24H33NO2
• Molecular Mass: 367.52432
• Monoisotopic Mass: 367.2511293
• SMILES: C1(CC(OCC1)C(C)C)(c1ccccc1)CCNCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNCCC1(CCOC(C1)C(C)C)c1ccccc1
• InChI: InChI=1S/C24H33NO2/c1-19(2)23-17-24(14-16-27-23,21-7-5-4-6-8-21)13-15-25-18-20-9-11-22(26-3)12-10-20/h4-12,19,23,25H,13-18H2,1-3H3
• InChIKey: NJKRITVJGFNMNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxyphenyl)methyl]({2-[4-phenyl-2-(propan-2-yl)oxan-4-yl]ethyl})amine
• IUPAC Traditional name: [2-(2-isopropyl-4-phenyloxan-4-yl)ethyl][(4-methoxyphenyl)methyl]amine

Database IDs

• PubChem SID: 164247986
• PubChem CID: 2946877

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6870102
• LogD (pH = 7.4): 2.4662004
• Log P: 4.9002466
• Molar Refractivity: 111.7252 cm^3
• Polarizability: 44.150837 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds