1-(2-aminoethoxy)-2-(benzyloxy)benzene

• ChemBase ID: 161847
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: c1(ccccc1OCCN)OCc1ccccc1
• Canonical SMILES: NCCOc1ccccc1OCc1ccccc1
• InChI: InChI=1S/C15H17NO2/c16-10-11-17-14-8-4-5-9-15(14)18-12-13-6-2-1-3-7-13/h1-9H,10-12,16H2
• InChIKey: IYVSABAGVFWSNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-2-(benzyloxy)benzene
• IUPAC Traditional name: 1-(2-aminoethoxy)-2-(benzyloxy)benzene
• Synonyms: 2-[2-(Phenylmethoxy)phenoxy]ethanamine; 2-(2-Benzyloxyphenoxy)ethylamine; 1-(2-aminoethoxy)-2-(benzyloxy)benzene

Database IDs

• CAS Number: 72955-81-8
• MDL Number: MFCD04973561
• PubChem SID: 162255982
• PubChem CID: 4461116

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3761952
• LogD (pH = 7.4): 0.7294943
• Log P: 2.5853925
• Molar Refractivity: 71.5468 cm^3
• Polarizability: 28.340828 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Brownish-Oil
• Hydrophobicity(logP): 2.769

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere

Product Information

• Purity: 95%