benzyl(2-methoxyethyl)amine

• ChemBase ID: 233792
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: N(Cc1ccccc1)CCOC
• Canonical SMILES: COCCNCc1ccccc1
• InChI: InChI=1S/C10H15NO/c1-12-8-7-11-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
• InChIKey: BHKFRWOEIYJBLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(2-methoxyethyl)amine
• IUPAC Traditional name: benzyl(2-methoxyethyl)amine
• Synonyms: N-benzyl-N-(2-methoxyethyl)amine

Database IDs

• CAS Number: 51353-26-5
• MDL Number: MFCD01445287
• PubChem SID: 164289702
• PubChem CID: 2396989

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.599787
• LogD (pH = 7.4): -0.21229911
• Log P: 1.4846191
• Molar Refractivity: 50.3495 cm^3
• Polarizability: 19.930489 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107 - 109°C
• Hydrophobicity(logP): 1.541

Product Information

• Purity: 95%