2-methoxy-5-(morpholine-4-carbonyl)aniline

• ChemBase ID: 123610
• Molecular Formular: C12H16N2O3
• Molecular Mass: 236.26704
• Monoisotopic Mass: 236.11609238
• SMILES: C(=O)(N1CCOCC1)c1cc(c(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1N)C(=O)N1CCOCC1
• InChI: InChI=1S/C12H16N2O3/c1-16-11-3-2-9(8-10(11)13)12(15)14-4-6-17-7-5-14/h2-3,8H,4-7,13H2,1H3
• InChIKey: PIALGJWTYQFKKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(morpholine-4-carbonyl)aniline
• IUPAC Traditional name: 2-methoxy-5-(morpholine-4-carbonyl)aniline
• Synonyms: (3-amino-4-methoxyphenyl)(morpholino)methanone; 2-methoxy-5-[(morpholin-4-yl)carbonyl]aniline

Database IDs

• MDL Number: MFCD09042763
• PubChem SID: 162217963
• PubChem CID: 16770478

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.063939646
• LogD (pH = 7.4): 0.066112794
• Log P: 0.06614057
• Molar Refractivity: 65.1679 cm^3
• Polarizability: 24.180046 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): 0.304

Product Information

• Purity: 95%