[(5-methylthiophen-2-yl)methyl](pyridin-4-ylmethyl)amine

• ChemBase ID: 312190
• Molecular Formular: C12H14N2S
• Molecular Mass: 218.31796
• Monoisotopic Mass: 218.08776946
• SMILES: s1c(ccc1C)CNCc1ccncc1
• Canonical SMILES: Cc1ccc(s1)CNCc1ccncc1
• InChI: InChI=1S/C12H14N2S/c1-10-2-3-12(15-10)9-14-8-11-4-6-13-7-5-11/h2-7,14H,8-9H2,1H3
• InChIKey: WWTLIMSYMOPQDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-methylthiophen-2-yl)methyl](pyridin-4-ylmethyl)amine
• IUPAC Traditional name: [(5-methylthiophen-2-yl)methyl](pyridin-4-ylmethyl)amine
• Synonyms: 1-(5-methyl-2-thienyl)-N-(4-pyridinylmethyl)methanamine

Database IDs

• CAS Number: 893597-67-6
• MDL Number: MFCD07406710

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2058176
• LogD (pH = 7.4): 1.4693981
• Log P: 2.5971375
• Molar Refractivity: 63.7079 cm^3
• Polarizability: 24.641506 Å^3
• Polar Surface Area: 24.92 Å^2