2-(2,6-dimethylmorpholine-4-carbonyl)aniline

• ChemBase ID: 254399
• Molecular Formular: C13H18N2O2
• Molecular Mass: 234.29422
• Monoisotopic Mass: 234.13682783
• SMILES: N1(C(=O)c2c(N)cccc2)CC(OC(C1)C)C
• Canonical SMILES: CC1OC(C)CN(C1)C(=O)c1ccccc1N
• InChI: InChI=1S/C13H18N2O2/c1-9-7-15(8-10(2)17-9)13(16)11-5-3-4-6-12(11)14/h3-6,9-10H,7-8,14H2,1-2H3
• InChIKey: JVWLOBQTINYITA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylmorpholine-4-carbonyl)aniline
• IUPAC Traditional name: 2-(2,6-dimethylmorpholine-4-carbonyl)aniline
• Synonyms: 2-[(2,6-dimethylmorpholin-4-yl)carbonyl]aniline

Database IDs

• MDL Number: MFCD08444653
• PubChem SID: 164310309
• PubChem CID: 10823601

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7060723
• LogD (pH = 7.4): 1.7069507
• Log P: 1.7069619
• Molar Refractivity: 67.5423 cm^3
• Polarizability: 25.31688 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 1.093

Product Information

• Purity: 95%