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

• ChemBase ID: 241739
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: N1(c2cc(c(cc2)N)OC)CC(OCC1)(C)C
• Canonical SMILES: COc1cc(ccc1N)N1CCOC(C1)(C)C
• InChI: InChI=1S/C13H20N2O2/c1-13(2)9-15(6-7-17-13)10-4-5-11(14)12(8-10)16-3/h4-5,8H,6-7,9,14H2,1-3H3
• InChIKey: MKORQHDZQJCFMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18995928
• PubChem SID: 164297649
• PubChem CID: 63669991

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0896132
• LogD (pH = 7.4): 1.5621715
• Log P: 1.5733438
• Molar Refractivity: 69.7817 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

• Hydrophobicity(logP): 1.709

Product Information

• Purity: 95%