3-(2-aminophenoxy)-N,N-dimethylaniline

• ChemBase ID: 19529
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: c1c(N(C)C)cccc1Oc1c(N)cccc1
• Canonical SMILES: Nc1ccccc1Oc1cccc(c1)N(C)C
• InChI: InChI=1S/C14H16N2O/c1-16(2)11-6-5-7-12(10-11)17-14-9-4-3-8-13(14)15/h3-10H,15H2,1-2H3
• InChIKey: CRXIVPYCNMPOFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-aminophenoxy)-N,N-dimethylaniline
• IUPAC Traditional name: 3-(2-aminophenoxy)-N,N-dimethylaniline
• Synonyms: 2-[3-(Dimethylamino)phenoxy]aniline

Database IDs

• MDL Number: MFCD08687609
• PubChem SID: 160982836
• PubChem CID: 19626915

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7436588
• LogD (pH = 7.4): 2.752537
• Log P: 2.752651
• Molar Refractivity: 71.4278 cm^3
• Polarizability: 26.637148 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false