N-methyl-4-(pyridin-2-yloxy)aniline

• ChemBase ID: 275405
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1(ncccc1)Oc1ccc(NC)cc1
• Canonical SMILES: CNc1ccc(cc1)Oc1ccccn1
• InChI: InChI=1S/C12H12N2O/c1-13-10-5-7-11(8-6-10)15-12-4-2-3-9-14-12/h2-9,13H,1H3
• InChIKey: AUHHWJBGADUWTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-(pyridin-2-yloxy)aniline
• IUPAC Traditional name: N-methyl-4-(pyridin-2-yloxy)aniline
• Synonyms: N-methyl-4-(pyridin-2-yloxy)aniline

Database IDs

• MDL Number: MFCD12779335
• PubChem SID: 164331315
• PubChem CID: 54593665

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1996553
• LogD (pH = 7.4): 2.3213012
• Log P: 2.3230963
• Molar Refractivity: 60.6492 cm^3
• Polarizability: 22.746452 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 - 128°C
• Hydrophobicity(logP): 2.242

Product Information

• Purity: 95%