5-methoxy-2-(propan-2-yloxy)aniline

• ChemBase ID: 271299
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(c(cc(cc1)OC)N)OC(C)C
• Canonical SMILES: COc1ccc(c(c1)N)OC(C)C
• InChI: InChI=1S/C10H15NO2/c1-7(2)13-10-5-4-8(12-3)6-9(10)11/h4-7H,11H2,1-3H3
• InChIKey: PRBGVIKREXVYLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-(propan-2-yloxy)aniline
• IUPAC Traditional name: 2-isopropoxy-5-methoxyaniline
• Synonyms: 5-methoxy-2-(propan-2-yloxy)aniline

Database IDs

• MDL Number: MFCD09741586
• PubChem SID: 164327209
• PubChem CID: 10261728

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.591799
• LogD (pH = 7.4): 1.6022258
• Log P: 1.6023604
• Molar Refractivity: 52.8522 cm^3
• Polarizability: 20.185032 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.052

Product Information

• Purity: 95%