{2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}(1-phenylethyl)amine

• ChemBase ID: 194172
• Molecular Formular: C25H35NO
• Molecular Mass: 365.5515
• Monoisotopic Mass: 365.27186475
• SMILES: C1(CC(OCC1)C(C)C)(c1ccc(cc1)C)CCNC(c1ccccc1)C
• Canonical SMILES: CC(C1OCCC(C1)(CCNC(c1ccccc1)C)c1ccc(cc1)C)C
• InChI: InChI=1S/C25H35NO/c1-19(2)24-18-25(15-17-27-24,23-12-10-20(3)11-13-23)14-16-26-21(4)22-8-6-5-7-9-22/h5-13,19,21,24,26H,14-18H2,1-4H3
• InChIKey: NKGXTFCIHUTLTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}(1-phenylethyl)amine
• IUPAC Traditional name: {2-[2-isopropyl-4-(4-methylphenyl)oxan-4-yl]ethyl}(1-phenylethyl)amine

Database IDs

• PubChem SID: 164250082
• PubChem CID: 3795921

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7650006
• LogD (pH = 7.4): 3.4053988
• Log P: 5.987914
• Molar Refractivity: 114.722 cm^3
• Polarizability: 45.282608 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds