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

• ChemBase ID: 259306
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: c1(sccc1)C(NC)C
• Canonical SMILES: CNC(c1cccs1)C
• InChI: InChI=1S/C7H11NS/c1-6(8-2)7-4-3-5-9-7/h3-6,8H,1-2H3
• InChIKey: IPSPCSZFJRJGMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(thiophen-2-yl)ethyl]amine
• IUPAC Traditional name: methyl[1-(thiophen-2-yl)ethyl]amine
• Synonyms: methyl[1-(thiophen-2-yl)ethyl]amine; N-methyl-1-(2-thienyl)ethanamine

Database IDs

• CAS Number: 174316-28-0
• MDL Number: MFCD04549865
• PubChem SID: 164315216
• PubChem CID: 458576

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2717705
• LogD (pH = 7.4): -0.01138244
• Log P: 1.8610511
• Molar Refractivity: 40.6147 cm^3
• Polarizability: 16.025997 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.465

Product Information

• Purity: 95%