[(4-ethylphenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 232948
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: N(Cc1ccc(cc1)CC)C.Cl
• Canonical SMILES: CNCc1ccc(cc1)CC.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-3-9-4-6-10(7-5-9)8-11-2;/h4-7,11H,3,8H2,1-2H3;1H
• InChIKey: CIZGIWUIXODSBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethylphenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(4-ethylphenyl)methyl](methyl)amine hydrochloride
• Synonyms: N-(4-ethylbenzyl)-N-methylamine hydrochloride

Database IDs

• MDL Number: MFCD07106844
• PubChem SID: 164288858
• PubChem CID: 17290725

CALCULATED PROPERTIES

• LogD (pH = 5.5): -0.7103442
• LogD (pH = 7.4): 0.204087
• Log P: 2.4895847
• Molar Refractivity: 48.9482 cm^3
• Polarizability: 19.207567 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Physical Property

• Melting Point: 212 - 213°C
• Hydrophobicity(logP): 2.538

Product Information

• Purity: 95%
• Salt Data: HCl