2-(2,3-dimethylphenoxy)pyridin-3-amine

• ChemBase ID: 79401
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: O(c1ncccc1N)c1c(c(ccc1)C)C
• Canonical SMILES: Nc1cccnc1Oc1cccc(c1C)C
• InChI: InChI=1S/C13H14N2O/c1-9-5-3-7-12(10(9)2)16-13-11(14)6-4-8-15-13/h3-8H,14H2,1-2H3
• InChIKey: PIQSAGQZHVNDSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dimethylphenoxy)pyridin-3-amine
• IUPAC Traditional name: 2-(2,3-dimethylphenoxy)pyridin-3-amine
• Synonyms: 2-(2,3-Dimethylphenoxy)pyridin-3-amine; 3-Amino-2-(2,3-dimethylphenoxy)pyridine; 2-(2,3-dimethylphenoxy)pyridin-3-amine

Database IDs

• CAS Number: 175136-23-9
• MDL Number: MFCD00173657
• PubChem SID: 162044164
• PubChem CID: 2775051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0479429
• LogD (pH = 7.4): 3.0482314
• Log P: 3.048235
• Molar Refractivity: 65.2382 cm^3
• Polarizability: 24.437773 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 149°C
• Hydrophobicity(logP): 3.544

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%