4-(2-methoxyethoxy)-N-methylaniline

• ChemBase ID: 270430
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(NC)ccc(cc1)OCCOC
• Canonical SMILES: COCCOc1ccc(cc1)NC
• InChI: InChI=1S/C10H15NO2/c1-11-9-3-5-10(6-4-9)13-8-7-12-2/h3-6,11H,7-8H2,1-2H3
• InChIKey: VDDNSZAXDAZHHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyethoxy)-N-methylaniline
• IUPAC Traditional name: 4-(2-methoxyethoxy)-N-methylaniline
• Synonyms: 4-(2-methoxyethoxy)-N-methylaniline

Database IDs

• MDL Number: MFCD12779322
• PubChem SID: 164326340
• PubChem CID: 50989047

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.83209264
• LogD (pH = 7.4): 1.2328613
• Log P: 1.2413771
• Molar Refractivity: 53.7585 cm^3
• Polarizability: 20.19938 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 1.633

Product Information

• Purity: 95%