(2-methylphenyl)(thiophen-2-yl)methanamine

• ChemBase ID: 308522
• Molecular Formular: C12H13NS
• Molecular Mass: 203.30332
• Monoisotopic Mass: 203.07687042
• SMILES: c1(C(c2c(C)cccc2)N)sccc1
• Canonical SMILES: Cc1ccccc1C(c1cccs1)N
• InChI: InChI=1S/C12H13NS/c1-9-5-2-3-6-10(9)12(13)11-7-4-8-14-11/h2-8,12H,13H2,1H3
• InChIKey: MRSYDWJTJQECBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylphenyl)(thiophen-2-yl)methanamine
• IUPAC Traditional name: (2-methylphenyl)(thiophen-2-yl)methanamine
• Synonyms: 1-(2-methylphenyl)-1-(2-thienyl)methanamine

Database IDs

• CAS Number: 933684-18-5
• MDL Number: MFCD11053987

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.57876056
• LogD (pH = 7.4): 2.154141
• Log P: 3.3095572
• Molar Refractivity: 60.7453 cm^3
• Polarizability: 23.718105 Å^3
• Polar Surface Area: 26.02 Å^2