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

• ChemBase ID: 128315
• Molecular Formular: C8H13NS
• Molecular Mass: 155.26052
• Monoisotopic Mass: 155.07687042
• SMILES: CNC(C)Cc1cccs1
• Canonical SMILES: CNC(Cc1cccs1)C
• InChI: InChI=1S/C8H13NS/c1-7(9-2)6-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
• InChIKey: HPHUWHKFQXTZPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(thiophen-2-yl)propan-2-yl]amine
• IUPAC Traditional name: methiopropamine
• Synonyms: MPA; Methiopropamine; Methedrene; Syndrax; Methiopropamine

Database IDs

• CAS Number: 801156-47-8
• PubChem SID: 162222623
• PubChem CID: 436156
• Chemspider ID: 385727
• Wikipedia Title: Methiopropamine

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

Pharmacology Properties

• Half Life: a few hours
• Metabolism: liver