3-(1-phenylethoxy)pyridin-2-amine

• ChemBase ID: 234919
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: c1(c(OC(c2ccccc2)C)cccn1)N
• Canonical SMILES: CC(c1ccccc1)Oc1cccnc1N
• InChI: InChI=1S/C13H14N2O/c1-10(11-6-3-2-4-7-11)16-12-8-5-9-15-13(12)14/h2-10H,1H3,(H2,14,15)
• InChIKey: PPDXZQYCEONNNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-phenylethoxy)pyridin-2-amine
• IUPAC Traditional name: 3-(1-phenylethoxy)pyridin-2-amine
• Synonyms: 3-(1-phenylethoxy)pyridin-2-amine

Database IDs

• MDL Number: MFCD19578491
• PubChem SID: 164290829
• PubChem CID: 12758276

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5695007
• LogD (pH = 7.4): 2.4522111
• Log P: 2.5044818
• Molar Refractivity: 64.4096 cm^3
• Polarizability: 24.528307 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 3.019

Product Information

• Purity: 95%