2-(3-ethoxyphenoxy)-5-methylaniline

• ChemBase ID: 19866
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: c1(c(cc(cc1)C)N)Oc1cc(OCC)ccc1
• Canonical SMILES: CCOc1cccc(c1)Oc1ccc(cc1N)C
• InChI: InChI=1S/C15H17NO2/c1-3-17-12-5-4-6-13(10-12)18-15-8-7-11(2)9-14(15)16/h4-10H,3,16H2,1-2H3
• InChIKey: PLHDRPRFJAIKEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-ethoxyphenoxy)-5-methylaniline
• IUPAC Traditional name: 2-(3-ethoxyphenoxy)-5-methylaniline
• Synonyms: 2-(3-Ethoxyphenoxy)-5-methylaniline

Database IDs

• MDL Number: MFCD08687727
• PubChem SID: 160983173
• PubChem CID: 26189517

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3547761
• LogD (pH = 7.4): 3.357135
• Log P: 3.357165
• Molar Refractivity: 73.2522 cm^3
• Polarizability: 27.928112 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false