3-[(2-methoxyethoxy)methyl]aniline

• ChemBase ID: 259755
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1c(N)cccc1COCCOC
• Canonical SMILES: COCCOCc1cccc(c1)N
• InChI: InChI=1S/C10H15NO2/c1-12-5-6-13-8-9-3-2-4-10(11)7-9/h2-4,7H,5-6,8,11H2,1H3
• InChIKey: VFELUXRQPZTTRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-methoxyethoxy)methyl]aniline
• IUPAC Traditional name: 3-[(2-methoxyethoxy)methyl]aniline
• Synonyms: 3-[(2-methoxyethoxy)methyl]aniline

Database IDs

• MDL Number: MFCD09808175
• PubChem SID: 164315665
• PubChem CID: 18070953

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.95183814
• LogD (pH = 7.4): 0.9728465
• Log P: 0.9731211
• Molar Refractivity: 53.369 cm^3
• Polarizability: 20.211637 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.617

Product Information

• Purity: 95%