2-(5-chloro-2-ethoxyphenyl)ethan-1-amine

• ChemBase ID: 243573
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: c1(c(ccc(c1)Cl)OCC)CCN
• Canonical SMILES: NCCc1cc(Cl)ccc1OCC
• InChI: InChI=1S/C10H14ClNO/c1-2-13-10-4-3-9(11)7-8(10)5-6-12/h3-4,7H,2,5-6,12H2,1H3
• InChIKey: RFGXZKPIGJTVNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chloro-2-ethoxyphenyl)ethan-1-amine
• IUPAC Traditional name: 2-(5-chloro-2-ethoxyphenyl)ethanamine
• Synonyms: 2-(5-chloro-2-ethoxyphenyl)ethan-1-amine

Database IDs

• MDL Number: MFCD08449936
• PubChem SID: 164299483
• PubChem CID: 20985765

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8125739
• LogD (pH = 7.4): -0.02332354
• Log P: 2.190857
• Molar Refractivity: 55.303 cm^3
• Polarizability: 21.67342 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.734

Product Information

• Purity: 95%