methyl[1-(thiophen-2-yl)propan-2-yl]amine hydrochloride

• ChemBase ID: 172858
• Molecular Formular: C8H14ClNS
• Molecular Mass: 191.72146
• Monoisotopic Mass: 191.05354813
• SMILES: c1cc(sc1)CC(C)NC.Cl
• Canonical SMILES: CNC(Cc1cccs1)C.Cl
• InChI: InChI=1S/C8H13NS.ClH/c1-7(9-2)6-8-4-3-5-10-8;/h3-5,7,9H,6H2,1-2H3;1H
• InChIKey: GZPAWYXVXNYUGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(thiophen-2-yl)propan-2-yl]amine hydrochloride
• IUPAC Traditional name: methiopropamine hydrochloride
• Synonyms: N,α-Dimethyl-2-thiopheneethanamine Hydrochloride; NSC 400137; Methiopropamine Hydrochloride; methyl[1-(thiophen-2-yl)propan-2-yl]amine hydrochloride

Database IDs

• CAS Number: 7464-94-0
• MDL Number: MFCD21602755
• PubChem SID: 164228768
• PubChem CID: 458582

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0708112
• LogD (pH = 7.4): -0.39145127
• Log P: 2.1497123
• Molar Refractivity: 45.4801 cm^3
• Polarizability: 17.789091 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): 1.534

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - M260600

Methiopropamine is a thiophene-based structural analog of Methamphetamine (M258795). Reported side effects are quite adverse on higher doses including: increased heart rate, increased sweating, discolouration of extremeties, cardiovascular problems and ch

REFERENCES

• Braun, U., et al.: J. Med. Chem., 20, 1543 (1977)