3-[(3-chlorophenyl)methoxy]pyridin-2-amine

• ChemBase ID: 285769
• Molecular Formular: C12H11ClN2O
• Molecular Mass: 234.68154
• Monoisotopic Mass: 234.05599066
• SMILES: c1(ncccc1OCc1cc(Cl)ccc1)N
• Canonical SMILES: Clc1cccc(c1)COc1cccnc1N
• InChI: InChI=1S/C12H11ClN2O/c13-10-4-1-3-9(7-10)8-16-11-5-2-6-15-12(11)14/h1-7H,8H2,(H2,14,15)
• InChIKey: FHXFIGNXAAISEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3-chlorophenyl)methoxy]pyridin-2-amine
• IUPAC Traditional name: 3-[(3-chlorophenyl)methoxy]pyridin-2-amine
• Synonyms: 3-[(3-chlorophenyl)methoxy]pyridin-2-amine

Database IDs

• MDL Number: MFCD11195108
• PubChem SID: 180671300
• PubChem CID: 10354029

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7507746
• LogD (pH = 7.4): 2.6386073
• Log P: 2.6919515
• Molar Refractivity: 64.7956 cm^3
• Polarizability: 24.543247 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): 3.423

Product Information

• Purity: 95%