ethyl(2-phenylethyl)amine hydrochloride

• ChemBase ID: 259287
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: N(CCc1ccccc1)CC.Cl
• Canonical SMILES: CCNCCc1ccccc1.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-2-11-9-8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9H2,1H3;1H
• InChIKey: KEVLAWGGXZKVMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(2-phenylethyl)amine hydrochloride
• IUPAC Traditional name: ethyl(2-phenylethyl)amine hydrochloride
• Synonyms: ethyl(2-phenylethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD01708197
• PubChem SID: 164315197
• PubChem CID: 17157612

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0502898
• LogD (pH = 7.4): -0.49390352
• Log P: 2.1770637
• Molar Refractivity: 48.8096 cm^3
• Polarizability: 19.211714 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 2.108

Product Information

• Purity: 95%