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

• ChemBase ID: 308480
• Molecular Formular: C12H13NS
• Molecular Mass: 203.30332
• Monoisotopic Mass: 203.07687042
• SMILES: c1(sccc1)C(c1cc(ccc1)C)N
• Canonical SMILES: Cc1cccc(c1)C(c1cccs1)N
• InChI: InChI=1S/C12H13NS/c1-9-4-2-5-10(8-9)12(13)11-6-3-7-14-11/h2-8,12H,13H2,1H3
• InChIKey: PKJLLSNXRMTERV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylphenyl)(thiophen-2-yl)methanamine
• IUPAC Traditional name: (3-methylphenyl)(thiophen-2-yl)methanamine
• Synonyms: 1-(3-methylphenyl)-1-(2-thienyl)methanamine

Database IDs

• CAS Number: 933684-20-9
• MDL Number: MFCD11053979

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.56651783
• LogD (pH = 7.4): 2.131335
• Log P: 3.3095572
• Molar Refractivity: 60.7453 cm^3
• Polarizability: 23.717821 Å^3
• Polar Surface Area: 26.02 Å^2