bis(2-phenoxyethyl)amine

• ChemBase ID: 232469
• Molecular Formular: C16H19NO2
• Molecular Mass: 257.32756
• Monoisotopic Mass: 257.14157885
• SMILES: N(CCOc1ccccc1)CCOc1ccccc1
• Canonical SMILES: N(CCOc1ccccc1)CCOc1ccccc1
• InChI: InChI=1S/C16H19NO2/c1-3-7-15(8-4-1)18-13-11-17-12-14-19-16-9-5-2-6-10-16/h1-10,17H,11-14H2
• InChIKey: RYJMXUCUDNEAOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-phenoxyethyl)amine
• IUPAC Traditional name: bis(2-phenoxyethyl)amine
• Synonyms: Bis-(2-phenoxy-ethyl)-amine

Database IDs

• MDL Number: MFCD00085847
• PubChem SID: 164288379
• PubChem CID: 340018

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.026267981
• LogD (pH = 7.4): 1.4448495
• Log P: 3.0952208
• Molar Refractivity: 75.7978 cm^3
• Polarizability: 30.191633 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.651

Product Information

• Purity: 95%