ethyl[2-(thiophen-2-yl)ethyl]amine

• ChemBase ID: 255584
• Molecular Formular: C8H13NS
• Molecular Mass: 155.26052
• Monoisotopic Mass: 155.07687042
• SMILES: s1c(ccc1)CCNCC
• Canonical SMILES: CCNCCc1cccs1
• InChI: InChI=1S/C8H13NS/c1-2-9-6-5-8-4-3-7-10-8/h3-4,7,9H,2,5-6H2,1H3
• InChIKey: GMVAHTDYBPNNCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-(thiophen-2-yl)ethyl]amine
• IUPAC Traditional name: ethyl[2-(thiophen-2-yl)ethyl]amine
• Synonyms: ethyl[2-(thiophen-2-yl)ethyl]amine

Database IDs

• MDL Number: MFCD11145624
• PubChem SID: 164311494
• PubChem CID: 14485075

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1304451
• LogD (pH = 7.4): -0.44901976
• Log P: 2.089945
• Molar Refractivity: 45.8099 cm^3
• Polarizability: 17.789099 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.754

Product Information

• Purity: 95%