[(4-chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine

• ChemBase ID: 240738
• Molecular Formular: C14H16ClNS
• Molecular Mass: 265.80154
• Monoisotopic Mass: 265.0691982
• SMILES: c1(sccc1)CC(NCc1ccc(Cl)cc1)C
• Canonical SMILES: CC(Cc1cccs1)NCc1ccc(cc1)Cl
• InChI: InChI=1S/C14H16ClNS/c1-11(9-14-3-2-8-17-14)16-10-12-4-6-13(15)7-5-12/h2-8,11,16H,9-10H2,1H3
• InChIKey: ANEQQKLNDYNTER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
• IUPAC Traditional name: [(4-chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
• Synonyms: N-(4-chlorobenzyl)-N-(1-methyl-2-thien-2-ylethyl)amine

Database IDs

• MDL Number: MFCD06361977
• PubChem SID: 164296648
• PubChem CID: 4868416

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2795109
• LogD (pH = 7.4): 2.2041898
• Log P: 4.47823
• Molar Refractivity: 74.8975 cm^3
• Polarizability: 29.240385 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.275

Product Information

• Purity: 95%