2-methyl-4-(morpholine-4-carbonyl)aniline

• ChemBase ID: 245725
• Molecular Formular: C12H16N2O2
• Molecular Mass: 220.26764
• Monoisotopic Mass: 220.12117776
• SMILES: C(=O)(N1CCOCC1)c1cc(c(cc1)N)C
• Canonical SMILES: O=C(c1ccc(c(c1)C)N)N1CCOCC1
• InChI: InChI=1S/C12H16N2O2/c1-9-8-10(2-3-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7,13H2,1H3
• InChIKey: DOPYUBBZBYVKGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(morpholine-4-carbonyl)aniline
• IUPAC Traditional name: 2-methyl-4-(morpholine-4-carbonyl)aniline
• Synonyms: 2-methyl-4-(morpholine-4-carbonyl)aniline

Database IDs

• MDL Number: MFCD09049954
• PubChem SID: 164301635
• PubChem CID: 16777493

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7350364
• LogD (pH = 7.4): 0.7372055
• Log P: 0.7372332
• Molar Refractivity: 63.7459 cm^3
• Polarizability: 23.401215 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101 - 103°C
• Hydrophobicity(logP): 0.504

Product Information

• Purity: 95%