5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine

C13H12ClF2N3 — CID 103552991

IUPAC5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine
SMILESCN(c1ccccc1F)c1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C13H12ClF2N3/c1-19(10-5-3-2-4-7(10)15)13-9(18)6-8(17)11(14)12(13)16/h2-6H,17-18H2,1H3
InChIKeySPWITWCMCIMLNI-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.55
Rot. Bonds2

About 5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine

5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine (PubChem CID 103552991) has the molecular formula C13H12ClF2N3 and a molecular weight of 283.71 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine
PubChem CID103552991
Molecular FormulaC13H12ClF2N3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine
SMILESCN(c1ccccc1F)c1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C13H12ClF2N3/c1-19(10-5-3-2-4-7(10)15)13-9(18)6-8(17)11(14)12(13)16/h2-6H,17-18H2,1H3
InChIKeySPWITWCMCIMLNI-UHFFFAOYSA-N
XLogP3.55
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine
CID 103552989
5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552776
5-chloro-1-N-ethyl-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552641
2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine
CID 115124390
3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 55091797
2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79176501
3-amino-2-(2-fluoro-N-methylanilino)benzamide
CID 112578744
5-chloro-6-fluoro-1-N-methyl-1-N-(2-methylsulfanylethyl)benzene-1,2,4-triamine
CID 103553397
5-chloro-6-fluoro-1-N-methyl-1-N-(4-methylpentan-2-yl)benzene-1,2,4-triamine
CID 103552904
4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline
CID 55207918
5-chloro-1-N-cycloheptyl-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552727
6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80818336

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine?
The IUPAC name of 5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine (CID 103552991) is 5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine is CN(c1ccccc1F)c1c(N)cc(N)c(Cl)c1F.
What is the InChIKey of 5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine?
The InChIKey is SPWITWCMCIMLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3/c1-19(10-5-3-2-4-7(10)15)13-9(18)6-8(17)11(14)12(13)16/h2-6H,17-18H2,1H3.
What are the key properties of 5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine?
5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine has a molecular weight of 283.71 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine is sourced from PubChem (CID 103552991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).