5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine

C14H15ClFN3 — CID 103552610

IUPAC5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine
SMILESCCc1ccccc1Nc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C14H15ClFN3/c1-2-8-5-3-4-6-11(8)19-14-10(18)7-9(17)12(15)13(14)16/h3-7,19H,2,17-18H2,1H3
InChIKeyWVHYAOPEMOUZGE-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.95
Rot. Bonds3

About 5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine

5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine (PubChem CID 103552610) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine
PubChem CID103552610
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine
SMILESCCc1ccccc1Nc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C14H15ClFN3/c1-2-8-5-3-4-6-11(8)19-14-10(18)7-9(17)12(15)13(14)16/h3-7,19H,2,17-18H2,1H3
InChIKeyWVHYAOPEMOUZGE-UHFFFAOYSA-N
XLogP3.95
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-N-(2-chloro-4-methylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552626
5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552595
4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
CID 115468565
5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552563
1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 114041167
4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80761502
3-(4,6-diamino-3-chloro-2-fluoroanilino)-3-methylbutanamide
CID 106095656
6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine
CID 61277140
2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001518
1-N-(2-ethylphenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593992
5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide
CID 61112458
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544181

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine (CID 103552610) is 5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine is CCc1ccccc1Nc1c(N)cc(N)c(Cl)c1F.
What is the InChIKey of 5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine?
The InChIKey is WVHYAOPEMOUZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-8-5-3-4-6-11(8)19-14-10(18)7-9(17)12(15)13(14)16/h3-7,19H,2,17-18H2,1H3.
What are the key properties of 5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine?
5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine has a molecular weight of 279.75 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine is sourced from PubChem (CID 103552610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).