2-(2-ethoxyphenoxy)-5-methylaniline

• ChemBase ID: 19819
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: O(c1c(cc(cc1)C)N)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1Oc1ccc(cc1N)C
• InChI: InChI=1S/C15H17NO2/c1-3-17-14-6-4-5-7-15(14)18-13-9-8-11(2)10-12(13)16/h4-10H,3,16H2,1-2H3
• InChIKey: FMVNXNQKMXEUIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08687725
• PubChem SID: 160983126
• PubChem CID: 26189466

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.354933
• LogD (pH = 7.4): 3.357137
• Log P: 3.357165
• Molar Refractivity: 73.2522 cm^3
• Polarizability: 27.929531 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