2-methoxy-2-(thiophen-2-yl)ethan-1-amine

• ChemBase ID: 306759
• Molecular Formular: C7H11NOS
• Molecular Mass: 157.23334
• Monoisotopic Mass: 157.05613498
• SMILES: c1(sccc1)C(OC)CN
• Canonical SMILES: COC(c1cccs1)CN
• InChI: InChI=1S/C7H11NOS/c1-9-6(5-8)7-3-2-4-10-7/h2-4,6H,5,8H2,1H3
• InChIKey: FLXIOVQXMOFJRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-2-(thiophen-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-methoxy-2-(thiophen-2-yl)ethanamine
• Synonyms: 2-methoxy-2-(2-thienyl)ethanamine

Database IDs

• CAS Number: 64635-26-3
• MDL Number: MFCD08059757

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8355495
• LogD (pH = 7.4): -0.4229146
• Log P: 1.0246872
• Molar Refractivity: 42.135 cm^3
• Polarizability: 16.722424 Å^3
• Polar Surface Area: 35.25 Å^2