N-ethyl-2-methoxyaniline hydrochloride

• ChemBase ID: 45286
• Molecular Formular: C9H14ClNO
• Molecular Mass: 187.66656
• Monoisotopic Mass: 187.07639175
• SMILES: c1(c(OC)cccc1)NCC.Cl
• Canonical SMILES: CCNc1ccccc1OC.Cl
• InChI: InChI=1S/C9H13NO.ClH/c1-3-10-8-6-4-5-7-9(8)11-2;/h4-7,10H,3H2,1-2H3;1H
• InChIKey: CAJFEKXHUYCQID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-methoxyaniline hydrochloride
• IUPAC Traditional name: N-ethyl-2-methoxyaniline hydrochloride
• Synonyms: N-Ethyl-2-methoxyaniline hydrochloride

Database IDs

• MDL Number: MFCD10703568
• PubChem SID: 162050049
• PubChem CID: 24779668

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4458603
• LogD (pH = 7.4): 1.6419833
• Log P: 1.6451607
• Molar Refractivity: 47.4636 cm^3
• Polarizability: 17.675182 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false