1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol

C15H15F2NOS — CID 107644662

IUPAC1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
SMILESCSc1ccccc1NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2NOS/c1-20-15-5-3-2-4-13(15)18-9-14(19)11-7-6-10(16)8-12(11)17/h2-8,14,18-19H,9H2,1H3
InChIKeyZEAUESVTJHTLEC-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.83
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol

1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol (PubChem CID 107644662) has the molecular formula C15H15F2NOS and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
PubChem CID107644662
Molecular FormulaC15H15F2NOS
Molecular Weight295.35 g/mol
Exact Mass295.08
IUPAC Name1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
SMILESCSc1ccccc1NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2NOS/c1-20-15-5-3-2-4-13(15)18-9-14(19)11-7-6-10(16)8-12(11)17/h2-8,14,18-19H,9H2,1H3
InChIKeyZEAUESVTJHTLEC-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol
CID 103478900
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 107591968
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
2-[2-(difluoromethylsulfanyl)anilino]-1-(2-fluorophenyl)ethanol
CID 60899021
1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 78916070
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol
CID 65437921

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol (CID 107644662) is 1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol is CSc1ccccc1NCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol?
The InChIKey is ZEAUESVTJHTLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NOS/c1-20-15-5-3-2-4-13(15)18-9-14(19)11-7-6-10(16)8-12(11)17/h2-8,14,18-19H,9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol?
1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol has a molecular weight of 295.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol is sourced from PubChem (CID 107644662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).