5-methyl-2-propoxyaniline

• ChemBase ID: 19797
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(c(ccc(c1)C)OCCC)N
• Canonical SMILES: CCCOc1ccc(cc1N)C
• InChI: InChI=1S/C10H15NO/c1-3-6-12-10-5-4-8(2)7-9(10)11/h4-5,7H,3,6,11H2,1-2H3
• InChIKey: BWRYWFOSRHSJGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-propoxyaniline
• IUPAC Traditional name: 5-methyl-2-propoxyaniline
• Synonyms: 5-Methyl-2-propoxyaniline

Database IDs

• MDL Number: MFCD08688377
• PubChem SID: 160983104
• PubChem CID: 15508546

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3216307
• LogD (pH = 7.4): 2.3786225
• Log P: 2.3794003
• Molar Refractivity: 51.5354 cm^3
• Polarizability: 19.441395 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false