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

• ChemBase ID: 312195
• Molecular Formular: C12H14N2S
• Molecular Mass: 218.31796
• Monoisotopic Mass: 218.08776946
• SMILES: c1(c(ccs1)C)CNCc1ncccc1
• Canonical SMILES: Cc1ccsc1CNCc1ccccn1
• InChI: InChI=1S/C12H14N2S/c1-10-5-7-15-12(10)9-13-8-11-4-2-3-6-14-11/h2-7,13H,8-9H2,1H3
• InChIKey: OHMXZQHFVOIBPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-methylthiophen-2-yl)methyl](pyridin-2-ylmethyl)amine
• IUPAC Traditional name: [(3-methylthiophen-2-yl)methyl](pyridin-2-ylmethyl)amine
• Synonyms: 1-(3-methyl-2-thienyl)-N-(2-pyridinylmethyl)methanamine

Database IDs

• CAS Number: 880812-31-7
• MDL Number: MFCD07408589

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3840311
• LogD (pH = 7.4): 2.0720506
• Log P: 2.54617
• Molar Refractivity: 63.1706 cm^3
• Polarizability: 24.639025 Å^3
• Polar Surface Area: 24.92 Å^2