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

C14H14Cl2FN3O — CID 103552563

IUPAC5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine
SMILESCOc1cc(Cl)c(C)cc1Nc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C14H14Cl2FN3O/c1-6-3-10(11(21-2)4-7(6)15)20-14-9(19)5-8(18)12(16)13(14)17/h3-5,20H,18-19H2,1-2H3
InChIKeyJUJNSHANPYEUTJ-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.36
Rot. Bonds3

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

5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine (PubChem CID 103552563) has the molecular formula C14H14Cl2FN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine
PubChem CID103552563
Molecular FormulaC14H14Cl2FN3O
Molecular Weight330.19 g/mol
Exact Mass329.05
IUPAC Name5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine
SMILESCOc1cc(Cl)c(C)cc1Nc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C14H14Cl2FN3O/c1-6-3-10(11(21-2)4-7(6)15)20-14-9(19)5-8(18)12(16)13(14)17/h3-5,20H,18-19H2,1-2H3
InChIKeyJUJNSHANPYEUTJ-UHFFFAOYSA-N
XLogP4.36
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116735392
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 79021315
4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 115468524
5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552595
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
CID 28846412
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
3-amino-4-(4-chloro-2-methoxy-5-methylanilino)benzoic acid
CID 60989481
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 55080744
3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28847110
4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112876003
2-(4-chloro-2-methoxy-5-methylanilino)-3-methylbenzonitrile
CID 107106284

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine (CID 103552563) is 5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine is COc1cc(Cl)c(C)cc1Nc1c(N)cc(N)c(Cl)c1F.
What is the InChIKey of 5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine?
The InChIKey is JUJNSHANPYEUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3O/c1-6-3-10(11(21-2)4-7(6)15)20-14-9(19)5-8(18)12(16)13(14)17/h3-5,20H,18-19H2,1-2H3.
What are the key properties of 5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine?
5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine has a molecular weight of 330.19 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine is sourced from PubChem (CID 103552563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).