(4-propylphenyl)(thiophen-2-yl)methanamine

• ChemBase ID: 249955
• Molecular Formular: C14H17NS
• Molecular Mass: 231.35648
• Monoisotopic Mass: 231.10817055
• SMILES: c1(sccc1)C(c1ccc(cc1)CCC)N
• Canonical SMILES: CCCc1ccc(cc1)C(c1cccs1)N
• InChI: InChI=1S/C14H17NS/c1-2-4-11-6-8-12(9-7-11)14(15)13-5-3-10-16-13/h3,5-10,14H,2,4,15H2,1H3
• InChIKey: SFXSLECHAPHLNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-propylphenyl)(thiophen-2-yl)methanamine
• IUPAC Traditional name: (4-propylphenyl)(thiophen-2-yl)methanamine
• Synonyms: (4-propylphenyl)(thien-2-yl)methylamine

Database IDs

• MDL Number: MFCD07330154
• PubChem SID: 164305865
• PubChem CID: 4962811

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4588002
• LogD (pH = 7.4): 3.0264008
• Log P: 4.1986947
• Molar Refractivity: 69.9473 cm^3
• Polarizability: 27.408855 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 3.645

Product Information

• Purity: 95%