diethyl(2-phenoxyethyl)amine hydrochloride

• ChemBase ID: 251238
• Molecular Formular: C12H20ClNO
• Molecular Mass: 229.7463
• Monoisotopic Mass: 229.12334195
• SMILES: N(CCOc1ccccc1)(CC)CC.Cl
• Canonical SMILES: CCN(CCOc1ccccc1)CC.Cl
• InChI: InChI=1S/C12H19NO.ClH/c1-3-13(4-2)10-11-14-12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3;1H
• InChIKey: OAGZQZPENGEPCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(2-phenoxyethyl)amine hydrochloride
• IUPAC Traditional name: diethyl(2-phenoxyethyl)amine hydrochloride
• Synonyms: diethyl(2-phenoxyethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD00828594
• PubChem SID: 164307148
• PubChem CID: 12870701

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.7837397
• LogD (pH = 7.4): 0.63261676
• Log P: 2.5478349
• Molar Refractivity: 60.0375 cm^3
• Polarizability: 23.610388 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.218

Product Information

• Purity: 95%