4-methoxy-3-(morpholine-4-carbonyl)aniline

• ChemBase ID: 124142
• Molecular Formular: C12H16N2O3
• Molecular Mass: 236.26704
• Monoisotopic Mass: 236.11609238
• SMILES: c1(C(=O)N2CCOCC2)c(ccc(c1)N)OC
• Canonical SMILES: COc1ccc(cc1C(=O)N1CCOCC1)N
• InChI: InChI=1S/C12H16N2O3/c1-16-11-3-2-9(13)8-10(11)12(15)14-4-6-17-7-5-14/h2-3,8H,4-7,13H2,1H3
• InChIKey: IDIREWVMCNLVMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162218495
• PubChem CID: 28690113

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.051974885
• LogD (pH = 7.4): 0.0659593
• Log P: 0.06614057
• Molar Refractivity: 65.1679 cm^3
• Polarizability: 24.180584 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true