phenyl(thiophen-2-yl)methanamine

• ChemBase ID: 249366
• Molecular Formular: C11H11NS
• Molecular Mass: 189.27674
• Monoisotopic Mass: 189.06122036
• SMILES: c1(sccc1)C(c1ccccc1)N
• Canonical SMILES: NC(c1cccs1)c1ccccc1
• InChI: InChI=1S/C11H11NS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8,11H,12H2
• InChIKey: MUAFFFYJFXPGHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl(thiophen-2-yl)methanamine
• IUPAC Traditional name: phenyl(thiophen-2-yl)methanamine
• Synonyms: 1-phenyl-1-thien-2-ylmethanamine; 1-phenyl-1-(2-thienyl)methanamine

Database IDs

• CAS Number: 5693-42-5
• MDL Number: MFCD06655742
• PubChem SID: 164305276
• PubChem CID: 335613

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.06899878
• LogD (pH = 7.4): 1.6473984
• Log P: 2.796136
• Molar Refractivity: 55.7041 cm^3
• Polarizability: 21.951685 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 2.088

Product Information

• Purity: 95%