2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine

C14H14Cl2N2 — CID 115554524

IUPAC2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
SMILESCc1ccc(Cl)cc1Nc1cc(Cl)c(N)cc1C
InChIInChI=1S/C14H14Cl2N2/c1-8-3-4-10(15)6-13(8)18-14-7-11(16)12(17)5-9(14)2/h3-7,18H,17H2,1-2H3
InChIKeyNEGXRHRIOZLLIS-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.94
Rot. Bonds2

About 2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine

2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine (PubChem CID 115554524) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
PubChem CID115554524
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
SMILESCc1ccc(Cl)cc1Nc1cc(Cl)c(N)cc1C
InChIInChI=1S/C14H14Cl2N2/c1-8-3-4-10(15)6-13(8)18-14-7-11(16)12(17)5-9(14)2/h3-7,18H,17H2,1-2H3
InChIKeyNEGXRHRIOZLLIS-UHFFFAOYSA-N
XLogP4.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115554624
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539
2-chloro-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylbenzene-1,4-diamine
CID 115554494
4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
CID 163370554
1-N-(5-chloro-2-methylphenyl)benzene-1,2,4-triamine
CID 54794972
2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554521
4-bromo-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067533
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
1-N-(5-bromo-2-methylphenyl)-4-chlorobenzene-1,2-diamine
CID 43805872
2-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 115554408
2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine (CID 115554524) is 2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine is Cc1ccc(Cl)cc1Nc1cc(Cl)c(N)cc1C.
What is the InChIKey of 2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine?
The InChIKey is NEGXRHRIOZLLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-8-3-4-10(15)6-13(8)18-14-7-11(16)12(17)5-9(14)2/h3-7,18H,17H2,1-2H3.
What are the key properties of 2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine?
2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine has a molecular weight of 281.19 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine is sourced from PubChem (CID 115554524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).