methyl[2-(2-methylphenyl)ethyl]amine hydrochloride

• ChemBase ID: 29259
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: c1(c(CCNC)cccc1)C.Cl
• Canonical SMILES: CNCCc1ccccc1C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-9-5-3-4-6-10(9)7-8-11-2;/h3-6,11H,7-8H2,1-2H3;1H
• InChIKey: TVUXXZGXONVJGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(2-methylphenyl)ethyl]amine hydrochloride
• IUPAC Traditional name: methyl[2-(2-methylphenyl)ethyl]amine hydrochloride
• Synonyms: N-Methyl-2-(2-methylphenyl)-1-ethanamine hydrochloride

Database IDs

• MDL Number: MFCD18384826
• PubChem SID: 160992566
• PubChem CID: 11788691

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8910983
• LogD (pH = 7.4): -0.2838647
• Log P: 2.3336773
• Molar Refractivity: 49.1022 cm^3
• Polarizability: 19.129328 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false