(furan-2-ylmethyl)[(5-methylthiophen-2-yl)methyl]amine hydrochloride

• ChemBase ID: 24146
• Molecular Formular: C11H14ClNOS
• Molecular Mass: 243.75296
• Monoisotopic Mass: 243.04846275
• SMILES: c1(sc(cc1)C)CNCc1ccco1.Cl
• Canonical SMILES: Cc1ccc(s1)CNCc1ccco1.Cl
• InChI: InChI=1S/C11H13NOS.ClH/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10;/h2-6,12H,7-8H2,1H3;1H
• InChIKey: PWXASCVWWVMMNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[(5-methylthiophen-2-yl)methyl]amine hydrochloride
• IUPAC Traditional name: (furan-2-ylmethyl)[(5-methylthiophen-2-yl)methyl]amine hydrochloride
• Synonyms: Furan-2-ylmethyl-(5-methyl-thiophen-2-ylmethyl)-amine hydrochloride

Database IDs

• MDL Number: MFCD07169560
• PubChem SID: 160987453
• PubChem CID: 6462424

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7903182
• LogD (pH = 7.4): 2.4553196
• Log P: 2.8750565
• Molar Refractivity: 58.2557 cm^3
• Polarizability: 22.401495 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false