2-(2-phenoxyethoxy)aniline

• ChemBase ID: 307779
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: c1(c(OCCOc2ccccc2)cccc1)N
• Canonical SMILES: Nc1ccccc1OCCOc1ccccc1
• InChI: InChI=1S/C14H15NO2/c15-13-8-4-5-9-14(13)17-11-10-16-12-6-2-1-3-7-12/h1-9H,10-11,15H2
• InChIKey: OWCFHGUDMYDGPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenoxyethoxy)aniline
• IUPAC Traditional name: 2-(2-phenoxyethoxy)aniline
• Synonyms: 2-(2-phenoxyethoxy)aniline

Database IDs

• CAS Number: 114012-05-4
• MDL Number: MFCD06801176

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6047995
• LogD (pH = 7.4): 2.6303623
• Log P: 2.6306982
• Molar Refractivity: 67.7738 cm^3
• Polarizability: 26.106836 Å^3
• Polar Surface Area: 44.48 Å^2