4-(2,6-dimethylmorpholin-4-yl)-2-methoxyaniline

• ChemBase ID: 44638
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: N1(c2cc(c(cc2)N)OC)CC(OC(C1)C)C
• Canonical SMILES: COc1cc(ccc1N)N1CC(C)OC(C1)C
• InChI: InChI=1S/C13H20N2O2/c1-9-7-15(8-10(2)17-9)11-4-5-12(14)13(6-11)16-3/h4-6,9-10H,7-8,14H2,1-3H3
• InChIKey: OQMDAGZSLXKJAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,6-dimethylmorpholin-4-yl)-2-methoxyaniline
• IUPAC Traditional name: 4-(2,6-dimethylmorpholin-4-yl)-2-methoxyaniline
• Synonyms: 4-(2,6-Dimethylmorpholino)-2-methoxyphenylamine

Database IDs

• MDL Number: MFCD11841031
• PubChem SID: 162049401
• PubChem CID: 45588420

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.225609
• LogD (pH = 7.4): 1.6981697
• Log P: 1.709342
• Molar Refractivity: 69.5623 cm^3
• Polarizability: 26.13735 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 67 °C; 65-67°C

Safety Information

• Storage Condition: Store under N2 at 4°C
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%