2-(2,4,6-trimethylphenyl)ethan-1-amine hydrochloride

• ChemBase ID: 242206
• Molecular Formular: C11H18ClN
• Molecular Mass: 199.72032
• Monoisotopic Mass: 199.11277726
• SMILES: c1(c(c(cc(c1)C)C)CCN)C.Cl
• Canonical SMILES: NCCc1c(C)cc(cc1C)C.Cl
• InChI: InChI=1S/C11H17N.ClH/c1-8-6-9(2)11(4-5-12)10(3)7-8;/h6-7H,4-5,12H2,1-3H3;1H
• InChIKey: JWLMPZNZDSXSQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4,6-trimethylphenyl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2,4,6-trimethylphenyl)ethanamine hydrochloride
• Synonyms: 2-(2,4,6-trimethylphenyl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD08276815
• PubChem SID: 164298116
• PubChem CID: 24189586

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.5853072
• Log P: 2.9279397
• Molar Refractivity: 54.41 cm^3
• Polarizability: 20.811857 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.08427151

PROPERTIES

Physical Property

• Melting Point: 300 - 302°C
• Hydrophobicity(logP): 2.83

Product Information

• Purity: 95%