benzyl[2-(2-methoxyethoxy)ethyl]amine

• ChemBase ID: 237274
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: N(Cc1ccccc1)CCOCCOC
• Canonical SMILES: COCCOCCNCc1ccccc1
• InChI: InChI=1S/C12H19NO2/c1-14-9-10-15-8-7-13-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
• InChIKey: ZDYHIUOGBVMZLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[2-(2-methoxyethoxy)ethyl]amine
• IUPAC Traditional name: benzyl[2-(2-methoxyethoxy)ethyl]amine
• Synonyms: benzyl[2-(2-methoxyethoxy)ethyl]amine

Database IDs

• MDL Number: MFCD09035696
• PubChem SID: 164293184
• PubChem CID: 23009185

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6465495
• LogD (pH = 7.4): -0.25860807
• Log P: 1.4376436
• Molar Refractivity: 61.393 cm^3
• Polarizability: 24.28885 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.545

Product Information

• Purity: 95%