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

• ChemBase ID: 274864
• Molecular Formular: C8H13NS
• Molecular Mass: 155.26052
• Monoisotopic Mass: 155.07687042
• SMILES: c1(C(CN)(C)C)sccc1
• Canonical SMILES: NCC(c1cccs1)(C)C
• InChI: InChI=1S/C8H13NS/c1-8(2,6-9)7-4-3-5-10-7/h3-5H,6,9H2,1-2H3
• InChIKey: GULSTDWKCMPQQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(thiophen-2-yl)propan-1-amine
• IUPAC Traditional name: 2-methyl-2-(thiophen-2-yl)propan-1-amine
• Synonyms: 2-methyl-2-(thiophen-2-yl)propan-1-amine

Database IDs

• MDL Number: MFCD11898938
• PubChem SID: 164330774
• PubChem CID: 51664087

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9230751
• LogD (pH = 7.4): 0.1562189
• Log P: 2.0435305
• Molar Refractivity: 45.046 cm^3
• Polarizability: 17.78894 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.877

Product Information

• Purity: 95%