3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline

C12H18FNO2S — CID 106723957

IUPAC3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1cc(C)cc(F)c1
InChIInChI=1S/C12H18FNO2S/c1-3-5-17(15,16)6-4-14-12-8-10(2)7-11(13)9-12/h7-9,14H,3-6H2,1-2H3
InChIKeyFGMXFFTYFHGOMJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.37
Rot. Bonds6

About 3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline

3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline (PubChem CID 106723957) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline
PubChem CID106723957
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1cc(C)cc(F)c1
InChIInChI=1S/C12H18FNO2S/c1-3-5-17(15,16)6-4-14-12-8-10(2)7-11(13)9-12/h7-9,14H,3-6H2,1-2H3
InChIKeyFGMXFFTYFHGOMJ-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3,5-dimethyl-N-(2-propylsulfonylethyl)aniline
CID 107573637
3,4-difluoro-N-(2-propylsulfonylethyl)aniline
CID 106723062
2,3,4,5,6-pentafluoro-N-(2-propylsulfonylethyl)aniline
CID 106724196
4-chloro-N-(2-propylsulfonylethyl)aniline
CID 106513312
N-(2-ethylsulfonylethyl)-3-methylaniline
CID 43807532
N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 79692011
2,2-difluoro-N-(2-propylsulfonylethyl)-1,3-benzodioxol-5-amine
CID 106723033
N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525201
2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide
CID 114141631
4-butyl-N-(2-propylsulfonylethyl)aniline
CID 106723202
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
2-methyl-5-(2-propylsulfonylethylamino)isoindole-1,3-dione
CID 106722966

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline?
The IUPAC name of 3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline (CID 106723957) is 3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline.
What is the SMILES notation for 3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline?
The canonical SMILES for 3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline is CCCS(=O)(=O)CCNc1cc(C)cc(F)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline?
The InChIKey is FGMXFFTYFHGOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-3-5-17(15,16)6-4-14-12-8-10(2)7-11(13)9-12/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline?
3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline has a molecular weight of 259.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline is sourced from PubChem (CID 106723957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).