methyl[2-(morpholin-4-yl)propyl][(2,3,4-trimethoxyphenyl)methyl]amine

• ChemBase ID: 363591
• Molecular Formular: C18H30N2O4
• Molecular Mass: 338.4418
• Monoisotopic Mass: 338.22055745
• SMILES: c1(c(c(CN(CC(N2CCOCC2)C)C)ccc1OC)OC)OC
• Canonical SMILES: COc1c(ccc(c1OC)OC)CN(CC(N1CCOCC1)C)C
• InChI: InChI=1S/C18H30N2O4/c1-14(20-8-10-24-11-9-20)12-19(2)13-15-6-7-16(21-3)18(23-5)17(15)22-4/h6-7,14H,8-13H2,1-5H3
• InChIKey: YCWCFRXXIIKKFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(morpholin-4-yl)propyl][(2,3,4-trimethoxyphenyl)methyl]amine
• IUPAC Traditional name: methyl[2-(morpholin-4-yl)propyl][(2,3,4-trimethoxyphenyl)methyl]amine
• Synonyms: N-methyl-2-(4-morpholinyl)-N-(2,3,4-trimethoxybenzyl)-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.0037507
• LogD (pH = 7.4): 0.78300744
• Log P: 1.6583478
• Molar Refractivity: 95.5027 cm^3
• Polarizability: 37.472137 Å^3
• Polar Surface Area: 43.4 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.02
• LOG S: 1.0
• Polar Surface Area: 43.4 Å^2
• Rotatable Bonds: 5