(E)-{2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl}[(4-methoxyphenyl)methylidene]amine

• ChemBase ID: 187264
• Molecular Formular: C24H31NO3
• Molecular Mass: 381.50784
• Monoisotopic Mass: 381.23039386
• SMILES: C1(c2ccc(cc2)OC)(CC(OCC1)(C)C)CC/N=C/c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)/C=N/CCC1(CCOC(C1)(C)C)c1ccc(cc1)OC
• InChI: InChI=1S/C24H31NO3/c1-23(2)18-24(14-16-28-23,20-7-11-22(27-4)12-8-20)13-15-25-17-19-5-9-21(26-3)10-6-19/h5-12,17H,13-16,18H2,1-4H3/b25-17+
• InChIKey: PWVDAIZGNIJFFP-KOEQRZSOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-{2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl}[(4-methoxyphenyl)methylidene]amine
• IUPAC Traditional name: (E)-{2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl}[(4-methoxyphenyl)methylidene]amine

Database IDs

• PubChem SID: 164243174
• PubChem CID: 3837927

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7824786
• LogD (pH = 7.4): 4.2958117
• Log P: 4.526148
• Molar Refractivity: 114.1208 cm^3
• Polarizability: 43.984047 Å^3
• Polar Surface Area: 40.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds