[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl](ethyl)[(4-methoxyphenyl)methyl]amine

• ChemBase ID: 185344
• Molecular Formular: C26H37NO2
• Molecular Mass: 395.57748
• Monoisotopic Mass: 395.28242943
• SMILES: C1(C(CCN(Cc2ccc(cc2)OC)CC)c2ccccc2)CC(OCC1)(C)C
• Canonical SMILES: CCN(Cc1ccc(cc1)OC)CCC(c1ccccc1)C1CCOC(C1)(C)C
• InChI: InChI=1S/C26H37NO2/c1-5-27(20-21-11-13-24(28-4)14-12-21)17-15-25(22-9-7-6-8-10-22)23-16-18-29-26(2,3)19-23/h6-14,23,25H,5,15-20H2,1-4H3
• InChIKey: YKCUWIVBCFMJNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl](ethyl)[(4-methoxyphenyl)methyl]amine
• IUPAC Traditional name: [3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl](ethyl)[(4-methoxyphenyl)methyl]amine

Database IDs

• PubChem SID: 164241254
• PubChem CID: 3826412

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0407572
• LogD (pH = 7.4): 3.178907
• Log P: 5.4647245
• Molar Refractivity: 122.0856 cm^3
• Polarizability: 47.844337 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds