(4-chlorophenyl)(thiophen-3-yl)methanamine

• ChemBase ID: 265098
• Molecular Formular: C11H10ClNS
• Molecular Mass: 223.7218
• Monoisotopic Mass: 223.02224801
• SMILES: c1(C(c2ccc(cc2)Cl)N)cscc1
• Canonical SMILES: Clc1ccc(cc1)C(c1cscc1)N
• InChI: InChI=1S/C11H10ClNS/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-7,11H,13H2
• InChIKey: BPTMKNYVUJRAEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(thiophen-3-yl)methanamine
• IUPAC Traditional name: (4-chlorophenyl)(thiophen-3-yl)methanamine
• Synonyms: (4-chlorophenyl)(thiophen-3-yl)methanamine

Database IDs

• MDL Number: MFCD11858189
• PubChem SID: 164321008
• PubChem CID: 21156718

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.48031658
• LogD (pH = 7.4): 1.9999825
• Log P: 3.267741
• Molar Refractivity: 60.7248 cm^3
• Polarizability: 23.789967 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.801

Product Information

• Purity: 95%