5-chloro-4-methoxy-2-methylaniline

• ChemBase ID: 290946
• Molecular Formular: C8H10ClNO
• Molecular Mass: 171.6241
• Monoisotopic Mass: 171.04509163
• SMILES: Nc1cc(Cl)c(OC)cc1C
• Canonical SMILES: COc1cc(C)c(cc1Cl)N
• InChI: InChI=1S/C8H10ClNO/c1-5-3-8(11-2)6(9)4-7(5)10/h3-4H,10H2,1-2H3
• InChIKey: YFEWGFONNOYUBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-4-methoxy-2-methylaniline
• IUPAC Traditional name: 5-chloro-4-methoxy-2-methylaniline
• Synonyms: 5-Chloro-4-methoxy-2-methylaniline

Database IDs

• CAS Number: 62492-46-0
• PubChem SID: 180676477
• PubChem CID: 12325883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0855026
• LogD (pH = 7.4): 2.1038752
• Log P: 2.1041148
• Molar Refractivity: 47.0676 cm^3
• Polarizability: 17.640575 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%