1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol

C12H17F2NO2S — CID 113486446

IUPAC1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol
SMILESCC(CS(C)=O)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2S/c1-8(7-18(2)17)15-6-12(16)10-4-3-9(13)5-11(10)14/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyKBHIAWATIOYONE-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.35
Rot. Bonds6

About 1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol

1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol (PubChem CID 113486446) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol
PubChem CID113486446
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC Name1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol
SMILESCC(CS(C)=O)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2S/c1-8(7-18(2)17)15-6-12(16)10-4-3-9(13)5-11(10)14/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyKBHIAWATIOYONE-UHFFFAOYSA-N
XLogP1.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
CID 60979913
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408093
1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81348797
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol
CID 81382557
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
5-fluoro-2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]phenol
CID 104584218
1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol
CID 63183176
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol (CID 113486446) is 1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol is CC(CS(C)=O)NCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol?
The InChIKey is KBHIAWATIOYONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-8(7-18(2)17)15-6-12(16)10-4-3-9(13)5-11(10)14/h3-5,8,12,15-16H,6-7H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol?
1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol has a molecular weight of 277.34 g/mol, XLogP of 1.35, 6 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-(1-methylsulfinylpropan-2-ylamino)ethanol is sourced from PubChem (CID 113486446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).