(E)-[(4-methoxyphenyl)methylidene]({2-[4-(3-methylbutyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine

• ChemBase ID: 202593
• Molecular Formular: C23H37NO2
• Molecular Mass: 359.54538
• Monoisotopic Mass: 359.28242943
• SMILES: C1(OCCC(C1)(CCC(C)C)CC/N=C/c1ccc(cc1)OC)C(C)C
• Canonical SMILES: COc1ccc(cc1)/C=N/CCC1(CCOC(C1)C(C)C)CCC(C)C
• InChI: InChI=1S/C23H37NO2/c1-18(2)10-11-23(13-15-26-22(16-23)19(3)4)12-14-24-17-20-6-8-21(25-5)9-7-20/h6-9,17-19,22H,10-16H2,1-5H3/b24-17+
• InChIKey: OUCBQFUPVWLMFD-JJIBRWJFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-[(4-methoxyphenyl)methylidene]({2-[4-(3-methylbutyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine
• IUPAC Traditional name: (E)-{2-[2-isopropyl-4-(3-methylbutyl)oxan-4-yl]ethyl}[(4-methoxyphenyl)methylidene]amine

Database IDs

• PubChem SID: 164258503
• PubChem CID: 5105268

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6801386
• LogD (pH = 7.4): 5.3559575
• Log P: 5.777659
• Molar Refractivity: 110.2716 cm^3
• Polarizability: 43.015423 Å^3
• Polar Surface Area: 30.82 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds