1-(4-ethoxyphenyl)propan-2-amine

• ChemBase ID: 128820
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: O(c1ccc(cc1)CC(N)C)CC
• Canonical SMILES: CCOc1ccc(cc1)CC(N)C
• InChI: InChI=1S/C11H17NO/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3
• InChIKey: CCAMEVFYMFXHEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-ethoxyphenyl)propan-2-amine
• IUPAC Traditional name: para-ethoxyamphetamine
• Synonyms: Para-Ethoxyamphetamine

Database IDs

• CAS Number: 129476-58-0
• PubChem SID: 162223124
• PubChem CID: 125379
• CHEMBL: 161985
• Chemspider ID: 111573
• Wikipedia Title: Para-Ethoxyamphetamine

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.490471
• Log P: 2.0033872
• Molar Refractivity: 54.917 cm^3
• Polarizability: 21.681389 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.016447