benzyl[1-(thiophen-2-yl)ethyl]amine

• ChemBase ID: 255570
• Molecular Formular: C13H15NS
• Molecular Mass: 217.3299
• Monoisotopic Mass: 217.09252049
• SMILES: c1(sccc1)C(NCc1ccccc1)C
• Canonical SMILES: CC(c1cccs1)NCc1ccccc1
• InChI: InChI=1S/C13H15NS/c1-11(13-8-5-9-15-13)14-10-12-6-3-2-4-7-12/h2-9,11,14H,10H2,1H3
• InChIKey: QUUMHQDUGIQJST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[1-(thiophen-2-yl)ethyl]amine
• IUPAC Traditional name: benzyl[1-(thiophen-2-yl)ethyl]amine
• Synonyms: benzyl[1-(thiophen-2-yl)ethyl]amine

Database IDs

• MDL Number: MFCD11140751
• PubChem SID: 164311480
• PubChem CID: 43177509

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.6319689
• LogD (pH = 7.4): 2.2059743
• Log P: 3.585524
• Molar Refractivity: 65.2273 cm^3
• Polarizability: 25.645197 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.623

Product Information

• Purity: 95%