3-[(2-ethoxyethoxy)methyl]-2-methylaniline

• ChemBase ID: 285197
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: c1(c(N)cccc1COCCOCC)C
• Canonical SMILES: CCOCCOCc1cccc(c1C)N
• InChI: InChI=1S/C12H19NO2/c1-3-14-7-8-15-9-11-5-4-6-12(13)10(11)2/h4-6H,3,7-9,13H2,1-2H3
• InChIKey: JTVIXLMAYVXQCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-ethoxyethoxy)methyl]-2-methylaniline
• IUPAC Traditional name: 3-[(2-ethoxyethoxy)methyl]-2-methylaniline
• Synonyms: 3-[(2-ethoxyethoxy)methyl]-2-methylaniline

Database IDs

• MDL Number: MFCD12186479
• PubChem SID: 180670728
• PubChem CID: 43509333

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8290144
• LogD (pH = 7.4): 1.843167
• Log P: 1.8433504
• Molar Refractivity: 63.1588 cm^3
• Polarizability: 23.818666 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.256

Product Information

• Purity: 95%