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

• ChemBase ID: 284117
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: s1c(ccc1)CCNC
• Canonical SMILES: CNCCc1cccs1
• InChI: InChI=1S/C7H11NS/c1-8-5-4-7-3-2-6-9-7/h2-3,6,8H,4-5H2,1H3
• InChIKey: IKSCPAWBLQEUAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(thiophen-2-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(thiophen-2-yl)ethyl]amine
• Synonyms: methyl[2-(thiophen-2-yl)ethyl]amine; METHYL-(2-THIOPHEN-2-YL-ETHYL)-AMINE

Database IDs

• CAS Number: 106891-32-1
• MDL Number: MFCD04114520
• PubChem SID: 180669648
• PubChem CID: 436154

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4830083
• LogD (pH = 7.4): -0.74075335
• Log P: 1.7331372
• Molar Refractivity: 41.0613 cm^3
• Polarizability: 15.9457035 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.225

Product Information

• Purity: 95%; 98%