1-N-(2-phenoxyethyl)benzene-1,2-diamine

• ChemBase ID: 311841
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: c1(c(N)cccc1)NCCOc1ccccc1
• Canonical SMILES: Nc1ccccc1NCCOc1ccccc1
• InChI: InChI=1S/C14H16N2O/c15-13-8-4-5-9-14(13)16-10-11-17-12-6-2-1-3-7-12/h1-9,16H,10-11,15H2
• InChIKey: PYRLCNHZSHDZFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-(2-phenoxyethyl)benzene-1,2-diamine
• IUPAC Traditional name: 1-N-(2-phenoxyethyl)benzene-1,2-diamine
• Synonyms: (2-aminophenyl)(2-phenoxyethyl)amine

Database IDs

• CAS Number: 346662-82-6
• MDL Number: MFCD01995816

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2175057
• LogD (pH = 7.4): 2.2605698
• Log P: 2.2611475
• Molar Refractivity: 71.5044 cm^3
• Polarizability: 26.580587 Å^3
• Polar Surface Area: 47.28 Å^2