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

• ChemBase ID: 269277
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: c1(c(CCN)cccc1)OCC.Cl
• Canonical SMILES: NCCc1ccccc1OCC.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-2-12-10-6-4-3-5-9(10)7-8-11;/h3-6H,2,7-8,11H2,1H3;1H
• InChIKey: DZVJGLBWWLODNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxyphenyl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2-ethoxyphenyl)ethanamine hydrochloride
• Synonyms: 2-(2-ethoxyphenyl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD16817541
• PubChem SID: 164325187
• PubChem CID: 50988254

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4184483
• LogD (pH = 7.4): -0.6513471
• Log P: 1.5868121
• Molar Refractivity: 50.4982 cm^3
• Polarizability: 19.836987 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.881

Product Information

• Purity: 95%