5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine

C12H13ClFN3S — CID 103552680

IUPAC5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine
SMILESCC(Nc1c(N)cc(N)c(Cl)c1F)c1cccs1
InChIInChI=1S/C12H13ClFN3S/c1-6(9-3-2-4-18-9)17-12-8(16)5-7(15)10(13)11(12)14/h2-6,17H,15-16H2,1H3
InChIKeyFOWXJUQJRYQBRI-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.88
Rot. Bonds3

About 5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine

5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine (PubChem CID 103552680) has the molecular formula C12H13ClFN3S and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine
PubChem CID103552680
Molecular FormulaC12H13ClFN3S
Molecular Weight285.78 g/mol
Exact Mass285.05
IUPAC Name5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine
SMILESCC(Nc1c(N)cc(N)c(Cl)c1F)c1cccs1
InChIInChI=1S/C12H13ClFN3S/c1-6(9-3-2-4-18-9)17-12-8(16)5-7(15)10(13)11(12)14/h2-6,17H,15-16H2,1H3
InChIKeyFOWXJUQJRYQBRI-UHFFFAOYSA-N
XLogP3.88
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-fluoro-1-N-(1-thiophen-2-ylbutyl)benzene-1,2,4-triamine
CID 103552855
5-chloro-1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluorobenzene-1,2,4-triamine
CID 103552842
5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline
CID 43438364
5-chloro-6-fluoro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,2,4-triamine
CID 103553180
3-(4,6-diamino-3-chloro-2-fluoroanilino)butan-1-ol
CID 103553394
4-bromo-5-fluoro-2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 116735510
2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 43534396
5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534379
4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43093280
5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 106811735
4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534384

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine?
The IUPAC name of 5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine (CID 103552680) is 5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine is CC(Nc1c(N)cc(N)c(Cl)c1F)c1cccs1.
What is the InChIKey of 5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine?
The InChIKey is FOWXJUQJRYQBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3S/c1-6(9-3-2-4-18-9)17-12-8(16)5-7(15)10(13)11(12)14/h2-6,17H,15-16H2,1H3.
What are the key properties of 5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine?
5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine has a molecular weight of 285.78 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-N-(1-thiophen-2-ylethyl)benzene-1,2,4-triamine is sourced from PubChem (CID 103552680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).