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

• ChemBase ID: 30149
• Molecular Formular: C11H18ClNO
• Molecular Mass: 215.71972
• Monoisotopic Mass: 215.10769188
• SMILES: c1(CC(N)C)c(OCC)cccc1.Cl
• Canonical SMILES: CCOc1ccccc1CC(N)C.Cl
• InChI: InChI=1S/C11H17NO.ClH/c1-3-13-11-7-5-4-6-10(11)8-9(2)12;/h4-7,9H,3,8,12H2,1-2H3;1H
• InChIKey: UOKAFYGNEUREAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethoxyphenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 1-(2-ethoxyphenyl)propan-2-amine hydrochloride
• Synonyms: 2-(2-Ethoxy-phenyl)-1-methyl-ethylamine hydrochloride

Database IDs

• MDL Number: MFCD08161542
• PubChem SID: 160993456
• PubChem CID: 22695707

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0129471
• LogD (pH = 7.4): -0.41475382
• Log P: 2.0033872
• Molar Refractivity: 54.917 cm^3
• Polarizability: 21.682962 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false