N-methyl-N-({2-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)oxan-4-amine

• ChemBase ID: 622108
• Molecular Formular: C19H30N2O3
• Molecular Mass: 334.4531
• Monoisotopic Mass: 334.22564283
• SMILES: c1(CN(C2CCOCC2)C)c(OCCN2CCOCC2)cccc1
• Canonical SMILES: CN(C1CCOCC1)Cc1ccccc1OCCN1CCOCC1
• InChI: InChI=1S/C19H30N2O3/c1-20(18-6-11-22-12-7-18)16-17-4-2-3-5-19(17)24-15-10-21-8-13-23-14-9-21/h2-5,18H,6-16H2,1H3
• InChIKey: JICOXDAZWCRPLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-({2-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)oxan-4-amine
• IUPAC Traditional name: N-methyl-N-({2-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)oxan-4-amine
• Synonyms: N-methyl-N-[2-(2-morpholin-4-ylethoxy)benzyl]tetrahydro-2H-pyran-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.693384
• LogD (pH = 7.4): -0.019238915
• Log P: 1.5183015
• Molar Refractivity: 96.633 cm^3
• Polarizability: 37.92086 Å^3
• Polar Surface Area: 34.17 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.41
• LOG S: -1.83
• Polar Surface Area: 34.17 Å^2
• Rotatable Bonds: 7