2-(4-ethoxyphenyl)propan-2-amine

• ChemBase ID: 307305
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: C(c1ccc(cc1)OCC)(N)(C)C
• Canonical SMILES: CCOc1ccc(cc1)C(N)(C)C
• InChI: InChI=1S/C11H17NO/c1-4-13-10-7-5-9(6-8-10)11(2,3)12/h5-8H,4,12H2,1-3H3
• InChIKey: MZTZDLBTPXQHQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxyphenyl)propan-2-amine
• IUPAC Traditional name: 2-(4-ethoxyphenyl)propan-2-amine
• Synonyms: 2-(4-ethoxyphenyl)propan-2-amine

Database IDs

• CAS Number: 153002-40-5
• MDL Number: MFCD08059931

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0218242
• LogD (pH = 7.4): -0.43890932
• Log P: 1.9953027
• Molar Refractivity: 54.8002 cm^3
• Polarizability: 21.758093 Å^3
• Polar Surface Area: 35.25 Å^2