[2-(2,4-dimethylphenoxy)ethyl](2-methoxyethyl)amine

• ChemBase ID: 29185
• Molecular Formular: C13H21NO2
• Molecular Mass: 223.31134
• Monoisotopic Mass: 223.15722892
• SMILES: c1(c(ccc(c1)C)OCCNCCOC)C
• Canonical SMILES: COCCNCCOc1ccc(cc1C)C
• InChI: InChI=1S/C13H21NO2/c1-11-4-5-13(12(2)10-11)16-9-7-14-6-8-15-3/h4-5,10,14H,6-9H2,1-3H3
• InChIKey: OXMPIPUTIQTBCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2,4-dimethylphenoxy)ethyl](2-methoxyethyl)amine
• IUPAC Traditional name: [2-(2,4-dimethylphenoxy)ethyl](2-methoxyethyl)amine
• Synonyms: N-[2-(2,4-Dimethylphenoxy)ethyl]-N-(2-methoxyethyl)amine

Database IDs

• MDL Number: MFCD02633020
• PubChem SID: 160992492
• PubChem CID: 2262303

CALCULATED PROPERTIES

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.59746957
• LogD (pH = 7.4): 0.8883246
• Log P: 2.4310384
• Molar Refractivity: 66.3715 cm^3
• Polarizability: 25.963892 Å^3
• Polar Surface Area: 30.49 Å^2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false