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

C14H15ClFN3 — CID 103552595

IUPAC5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine
SMILESCc1ccc(C)c(Nc2c(N)cc(N)c(Cl)c2F)c1
InChIInChI=1S/C14H15ClFN3/c1-7-3-4-8(2)11(5-7)19-14-10(18)6-9(17)12(15)13(14)16/h3-6,19H,17-18H2,1-2H3
InChIKeyXATOTLZNQKJJQV-UHFFFAOYSA-N
MW279.75 g/mol
LogP4.00
Rot. Bonds2

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

5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine (PubChem CID 103552595) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine
PubChem CID103552595
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine
SMILESCc1ccc(C)c(Nc2c(N)cc(N)c(Cl)c2F)c1
InChIInChI=1S/C14H15ClFN3/c1-7-3-4-8(2)11(5-7)19-14-10(18)6-9(17)12(15)13(14)16/h3-6,19H,17-18H2,1-2H3
InChIKeyXATOTLZNQKJJQV-UHFFFAOYSA-N
XLogP4.00
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 54.00
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-ethylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552610
1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine
CID 103553339
5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552563
4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
CID 163370554
1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
CID 29067161
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
1-N-(4-bromo-2-ethylphenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine
CID 103553340
5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552819
6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine
CID 114070533
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016
5-chloro-6-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2,4-triamine
CID 103552628

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine (CID 103552595) is 5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine is Cc1ccc(C)c(Nc2c(N)cc(N)c(Cl)c2F)c1.
What is the InChIKey of 5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine?
The InChIKey is XATOTLZNQKJJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-7-3-4-8(2)11(5-7)19-14-10(18)6-9(17)12(15)13(14)16/h3-6,19H,17-18H2,1-2H3.
What are the key properties of 5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine?
5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine has a molecular weight of 279.75 g/mol, XLogP of 4.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine is sourced from PubChem (CID 103552595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).