N,2-dimethyl-4-(morpholine-4-carbonyl)aniline

• ChemBase ID: 286334
• Molecular Formular: C13H18N2O2
• Molecular Mass: 234.29422
• Monoisotopic Mass: 234.13682783
• SMILES: C(=O)(N1CCOCC1)c1cc(c(cc1)NC)C
• Canonical SMILES: CNc1ccc(cc1C)C(=O)N1CCOCC1
• InChI: InChI=1S/C13H18N2O2/c1-10-9-11(3-4-12(10)14-2)13(16)15-5-7-17-8-6-15/h3-4,9,14H,5-8H2,1-2H3
• InChIKey: BEFITWVLPYHQFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-4-(morpholine-4-carbonyl)aniline
• IUPAC Traditional name: N,2-dimethyl-4-(morpholine-4-carbonyl)aniline
• Synonyms: N,2-dimethyl-4-[(morpholin-4-yl)carbonyl]aniline

Database IDs

• MDL Number: MFCD19119930
• PubChem SID: 180671865
• PubChem CID: 55163049

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0340314
• LogD (pH = 7.4): 1.0388752
• Log P: 1.0389373
• Molar Refractivity: 69.2393 cm^3
• Polarizability: 25.23831 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107 - 109°C
• Hydrophobicity(logP): 1.321

Product Information

• Purity: 95%