(2-methoxyethyl)[(5-methylthiophen-2-yl)methyl]amine

• ChemBase ID: 312649
• Molecular Formular: C9H15NOS
• Molecular Mass: 185.2865
• Monoisotopic Mass: 185.08743511
• SMILES: s1c(ccc1C)CNCCOC
• Canonical SMILES: COCCNCc1ccc(s1)C
• InChI: InChI=1S/C9H15NOS/c1-8-3-4-9(12-8)7-10-5-6-11-2/h3-4,10H,5-7H2,1-2H3
• InChIKey: XIZOKDRATVFZLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(5-methylthiophen-2-yl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(5-methylthiophen-2-yl)methyl]amine
• Synonyms: (2-methoxyethyl)[(5-methyl-2-thienyl)methyl]amine

Database IDs

• CAS Number: 892570-84-2
• MDL Number: MFCD07408571

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.92142946
• LogD (pH = 7.4): 0.6415825
• Log P: 2.0433614
• Molar Refractivity: 52.2957 cm^3
• Polarizability: 20.32126 Å^3
• Polar Surface Area: 21.26 Å^2