2-(2-methoxyethoxy)-4-methylaniline

• ChemBase ID: 19872
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(c(ccc(c1)C)N)OCCOC
• Canonical SMILES: COCCOc1cc(C)ccc1N
• InChI: InChI=1S/C10H15NO2/c1-8-3-4-9(11)10(7-8)13-6-5-12-2/h3-4,7H,5-6,11H2,1-2H3
• InChIKey: HETIURDNYJSEHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 946716-14-9
• MDL Number: MFCD08688034
• PubChem SID: 160983179
• PubChem CID: 24692430

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.382005
• LogD (pH = 7.4): 1.4521222
• Log P: 1.4530945
• Molar Refractivity: 53.3063 cm^3
• Polarizability: 20.124409 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.433

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%