ethyl({[4-(2-methoxyethoxy)phenyl]methyl})amine

• ChemBase ID: 29248
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: c1(ccc(cc1)CNCC)OCCOC
• Canonical SMILES: COCCOc1ccc(cc1)CNCC
• InChI: InChI=1S/C12H19NO2/c1-3-13-10-11-4-6-12(7-5-11)15-9-8-14-2/h4-7,13H,3,8-10H2,1-2H3
• InChIKey: BADKLZNPHWWBAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl({[4-(2-methoxyethoxy)phenyl]methyl})amine
• IUPAC Traditional name: ethyl({[4-(2-methoxyethoxy)phenyl]methyl})amine
• Synonyms: N-[4-(2-Methoxyethoxy)benzyl]-1-ethanamine

Database IDs

• MDL Number: MFCD10687865
• PubChem SID: 160992555
• PubChem CID: 28308539

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5103734
• LogD (pH = 7.4): -0.54913336
• Log P: 1.6837559
• Molar Refractivity: 61.5613 cm^3
• Polarizability: 24.271267 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false