2-methoxy-3-methylaniline

• ChemBase ID: 292091
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: Nc1cccc(C)c1OC
• Canonical SMILES: COc1c(C)cccc1N
• InChI: InChI=1S/C8H11NO/c1-6-4-3-5-7(9)8(6)10-2/h3-5H,9H2,1-2H3
• InChIKey: FMLJHAHJVYPRAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-methylaniline
• IUPAC Traditional name: 2-methoxy-3-methylaniline
• Synonyms: 2-Methoxy-3-methylaniline

Database IDs

• CAS Number: 18102-30-2
• MDL Number: MFCD12547890
• PubChem SID: 180677622
• PubChem CID: 12377254

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.433599
• LogD (pH = 7.4): 1.4991658
• Log P: 1.50007
• Molar Refractivity: 42.2628 cm^3
• Polarizability: 15.75379 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%