ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane

C23H37F3N2 — CID 143879990

IUPACethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane
SMILESCC.CCCCC.CCc1ccc(F)c(F)c1Nc1ccc(C)cc1F.CN
InChIInChI=1S/C15H14F3N.C5H12.C2H6.CH5N/c1-3-10-5-6-11(16)14(18)15(10)19-13-7-4-9(2)8-12(13)17;1-3-5-4-2;2*1-2/h4-8,19H,3H2,1-2H3;3-5H2,1-2H3;1-2H3;2H2,1H3
InChIKeyJVSUASDJERUETP-UHFFFAOYSA-N
MW398.56 g/mol
LogP7.52
Rot. Bonds5

About ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane

ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane (PubChem CID 143879990) has the molecular formula C23H37F3N2 and a molecular weight of 398.56 g/mol. Its IUPAC name is ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane.

Molecular Properties

Compound Nameethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane
PubChem CID143879990
Molecular FormulaC23H37F3N2
Molecular Weight398.56 g/mol
Exact Mass398.29
IUPAC Nameethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane
SMILESCC.CCCCC.CCc1ccc(F)c(F)c1Nc1ccc(C)cc1F.CN
InChIInChI=1S/C15H14F3N.C5H12.C2H6.CH5N/c1-3-10-5-6-11(16)14(18)15(10)19-13-7-4-9(2)8-12(13)17;1-3-5-4-2;2*1-2/h4-8,19H,3H2,1-2H3;3-5H2,1-2H3;1-2H3;2H2,1H3
InChIKeyJVSUASDJERUETP-UHFFFAOYSA-N
XLogP7.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.56
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 143399809
3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl fluoride;ethane
CID 171642357
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]-(3-methylazetidin-1-yl)methanone;ethane;N-methylbutan-1-amine
CID 143442212
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 143223174
3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine
CID 143758150
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane
CID 143173019
1-[3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanone
CID 176938927
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
CID 143815087
6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane
CID 143879920
3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 176938871

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane?
The IUPAC name of ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane (CID 143879990) is ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane.
What is the SMILES notation for ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane?
The canonical SMILES for ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane is CC.CCCCC.CCc1ccc(F)c(F)c1Nc1ccc(C)cc1F.CN.
What is the InChIKey of ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane?
The InChIKey is JVSUASDJERUETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N.C5H12.C2H6.CH5N/c1-3-10-5-6-11(16)14(18)15(10)19-13-7-4-9(2)8-12(13)17;1-3-5-4-2;2*1-2/h4-8,19H,3H2,1-2H3;3-5H2,1-2H3;1-2H3;2H2,1H3.
What are the key properties of ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane?
ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane has a molecular weight of 398.56 g/mol, XLogP of 7.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane is sourced from PubChem (CID 143879990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).