3-methoxy-4-(morpholin-4-yl)aniline

• ChemBase ID: 57964
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: C1OCCN(C1)c1ccc(cc1OC)N
• Canonical SMILES: COc1cc(N)ccc1N1CCOCC1
• InChI: InChI=1S/C11H16N2O2/c1-14-11-8-9(12)2-3-10(11)13-4-6-15-7-5-13/h2-3,8H,4-7,12H2,1H3
• InChIKey: BRTDKJDVVFXVQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-4-(morpholin-4-yl)aniline
• IUPAC Traditional name: 3-methoxy-4-(morpholin-4-yl)aniline
• Synonyms: (3-Methoxy-4-morpholin-4-ylphenyl)amine

Database IDs

• MDL Number: MFCD09755872
• PubChem SID: 162062727
• PubChem CID: 21936468

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6238234
• LogD (pH = 7.4): 0.8718858
• Log P: 0.876192
• Molar Refractivity: 60.7247 cm^3
• Polarizability: 22.458311 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false