3-(2-ethoxyethoxy)aniline

• ChemBase ID: 307819
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1c(N)cccc1OCCOCC
• Canonical SMILES: CCOCCOc1cccc(c1)N
• InChI: InChI=1S/C10H15NO2/c1-2-12-6-7-13-10-5-3-4-9(11)8-10/h3-5,8H,2,6-7,11H2,1H3
• InChIKey: IWVOFNFQYNJRLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-ethoxyethoxy)aniline
• IUPAC Traditional name: 3-(2-ethoxyethoxy)aniline
• Synonyms: 3-(2-ethoxyethoxy)aniline

Database IDs

• CAS Number: 116998-62-0
• MDL Number: MFCD08691684

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2832483
• LogD (pH = 7.4): 1.2963119
• Log P: 1.296481
• Molar Refractivity: 53.0137 cm^3
• Polarizability: 20.201288 Å^3
• Polar Surface Area: 44.48 Å^2