(2-methoxyethyl)[(3-methylthiophen-2-yl)methyl]amine

• ChemBase ID: 312560
• Molecular Formular: C9H15NOS
• Molecular Mass: 185.2865
• Monoisotopic Mass: 185.08743511
• SMILES: c1(c(ccs1)C)CNCCOC
• Canonical SMILES: COCCNCc1sccc1C
• InChI: InChI=1S/C9H15NOS/c1-8-3-6-12-9(8)7-10-4-5-11-2/h3,6,10H,4-5,7H2,1-2H3
• InChIKey: WSQARWVUINZESJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(3-methylthiophen-2-yl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(3-methylthiophen-2-yl)methyl]amine
• Synonyms: (2-methoxyethyl)[(3-methyl-2-thienyl)methyl]amine

Database IDs

• CAS Number: 892571-49-2
• MDL Number: MFCD07408595

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0803283
• LogD (pH = 7.4): 0.45398584
• Log P: 1.9109219
• Molar Refractivity: 52.2806 cm^3
• Polarizability: 20.317755 Å^3
• Polar Surface Area: 21.26 Å^2