5-methoxy-2-(morpholin-4-yl)aniline

• ChemBase ID: 122366
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: c1(N2CCOCC2)c(cc(cc1)OC)N
• Canonical SMILES: COc1ccc(c(c1)N)N1CCOCC1
• InChI: InChI=1S/C11H16N2O2/c1-14-9-2-3-11(10(12)8-9)13-4-6-15-7-5-13/h2-3,8H,4-7,12H2,1H3
• InChIKey: BECJQIPSWDVBPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-(morpholin-4-yl)aniline
• IUPAC Traditional name: 5-methoxy-2-(morpholin-4-yl)aniline
• Synonyms: 5-methoxy-2-morpholinoaniline

Database IDs

• PubChem SID: 162216719
• PubChem CID: 16394892

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.87206316
• LogD (pH = 7.4): 0.87613976
• Log P: 0.876192
• Molar Refractivity: 60.7247 cm^3
• Polarizability: 22.457853 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true