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

C10H15ClFN3S — CID 103553460

IUPAC5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine
SMILESCSC(C)CNc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C10H15ClFN3S/c1-5(16-2)4-15-10-7(14)3-6(13)8(11)9(10)12/h3,5,15H,4,13-14H2,1-2H3
InChIKeyHYWYDNUBDIWYLD-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.81
Rot. Bonds4

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

5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine (PubChem CID 103553460) has the molecular formula C10H15ClFN3S and a molecular weight of 263.77 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine
PubChem CID103553460
Molecular FormulaC10H15ClFN3S
Molecular Weight263.77 g/mol
Exact Mass263.07
IUPAC Name5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine
SMILESCSC(C)CNc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C10H15ClFN3S/c1-5(16-2)4-15-10-7(14)3-6(13)8(11)9(10)12/h3,5,15H,4,13-14H2,1-2H3
InChIKeyHYWYDNUBDIWYLD-UHFFFAOYSA-N
XLogP2.81
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.81
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-(2-methylsulfanylethyl)benzene-1,2,4-triamine
CID 103553150
1-(4,6-diamino-3-chloro-2-fluoroanilino)-3-ethylpentan-2-ol
CID 106284341
5-chloro-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine
CID 103552522
3-(4,6-diamino-3-chloro-2-fluoroanilino)butan-1-ol
CID 103553394
5-chloro-1-N-[2-[ethyl(methyl)amino]ethyl]-6-fluorobenzene-1,2,4-triamine
CID 103553047
[1-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]cyclopropyl]methanol
CID 103553357
[4-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]phenyl]methanol
CID 107231596
4-butan-2-ylsulfanyl-6-chloro-5-fluorobenzene-1,3-diamine
CID 103553859
3-[2-(4,6-diamino-3-chloro-2-fluoroanilino)ethyl]-1,1-dimethylurea
CID 103553391
5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine
CID 106393058
5-chloro-1-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzene-1,2,4-triamine
CID 103553011
5-chloro-6-fluoro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,2,4-triamine
CID 103553180

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine?
The IUPAC name of 5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine (CID 103553460) is 5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine is CSC(C)CNc1c(N)cc(N)c(Cl)c1F.
What is the InChIKey of 5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine?
The InChIKey is HYWYDNUBDIWYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3S/c1-5(16-2)4-15-10-7(14)3-6(13)8(11)9(10)12/h3,5,15H,4,13-14H2,1-2H3.
What are the key properties of 5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine?
5-chloro-6-fluoro-1-N-(2-methylsulfanylpropyl)benzene-1,2,4-triamine has a molecular weight of 263.77 g/mol, XLogP of 2.81, 4 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-(2-methylsulfanylpropyl)benzene-1,2,4-triamine is sourced from PubChem (CID 103553460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).