[(3,4-dimethoxyphenyl)methyl]({2-[2-ethyl-2-methyl-4-(3-methylbutyl)oxan-4-yl]ethyl})amine

• ChemBase ID: 203013
• Molecular Formular: C24H41NO3
• Molecular Mass: 391.58724
• Monoisotopic Mass: 391.30864418
• SMILES: c1(c(ccc(c1)CNCCC1(CC(OCC1)(CC)C)CCC(C)C)OC)OC
• Canonical SMILES: CCC1(C)OCCC(C1)(CCNCc1ccc(c(c1)OC)OC)CCC(C)C
• InChI: InChI=1S/C24H41NO3/c1-7-23(4)18-24(13-15-28-23,11-10-19(2)3)12-14-25-17-20-8-9-21(26-5)22(16-20)27-6/h8-9,16,19,25H,7,10-15,17-18H2,1-6H3
• InChIKey: DRYXFCZAYHEIFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dimethoxyphenyl)methyl]({2-[2-ethyl-2-methyl-4-(3-methylbutyl)oxan-4-yl]ethyl})amine
• IUPAC Traditional name: [(3,4-dimethoxyphenyl)methyl]({2-[2-ethyl-2-methyl-4-(3-methylbutyl)oxan-4-yl]ethyl})amine

Database IDs

• PubChem SID: 164258923
• PubChem CID: 5132173

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9436786
• LogD (pH = 7.4): 2.8450763
• Log P: 5.1451
• Molar Refractivity: 116.6116 cm^3
• Polarizability: 46.330845 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds