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

• ChemBase ID: 240736
• Molecular Formular: C15H19NOS
• Molecular Mass: 261.38246
• Monoisotopic Mass: 261.11873523
• SMILES: c1(sccc1)CC(NCc1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)CNC(Cc1cccs1)C
• InChI: InChI=1S/C15H19NOS/c1-12(10-15-4-3-9-18-15)16-11-13-5-7-14(17-2)8-6-13/h3-9,12,16H,10-11H2,1-2H3
• InChIKey: XHWZLEVFEBMEDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06361978
• PubChem SID: 164296646
• PubChem CID: 4868415

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.51351774
• LogD (pH = 7.4): 1.4006716
• Log P: 3.716514
• Molar Refractivity: 76.5559 cm^3
• Polarizability: 29.904192 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.481

Product Information

• Purity: 95%