2-chloro-6-(2,5-dichlorophenoxy)aniline

C12H8Cl3NO — CID 113458716

IUPAC2-chloro-6-(2,5-dichlorophenoxy)aniline
SMILESNc1c(Cl)cccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl3NO/c13-7-4-5-8(14)11(6-7)17-10-3-1-2-9(15)12(10)16/h1-6H,16H2
InChIKeyKNPCZIUPXIHYQW-UHFFFAOYSA-N
MW288.56 g/mol
LogP5.02
Rot. Bonds2

About 2-chloro-6-(2,5-dichlorophenoxy)aniline

2-chloro-6-(2,5-dichlorophenoxy)aniline (PubChem CID 113458716) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is 2-chloro-6-(2,5-dichlorophenoxy)aniline.

Molecular Properties

Compound Name2-chloro-6-(2,5-dichlorophenoxy)aniline
PubChem CID113458716
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name2-chloro-6-(2,5-dichlorophenoxy)aniline
SMILESNc1c(Cl)cccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl3NO/c13-7-4-5-8(14)11(6-7)17-10-3-1-2-9(15)12(10)16/h1-6H,16H2
InChIKeyKNPCZIUPXIHYQW-UHFFFAOYSA-N
XLogP5.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.56
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloro-3-(2,5-dichlorophenoxy)benzene
CID 72941858
3-chloro-2-(2,5-dichlorophenoxy)aniline
CID 29030363
2-chloro-6-(2-iodophenoxy)aniline
CID 104835012
2-(2-chlorophenoxy)-6-fluoroaniline
CID 60790440
2-chloro-6-(2-chloro-4-methylphenoxy)aniline
CID 113458741
2-chloro-6-(2,5-dichlorophenoxy)benzenecarboximidamide
CID 55079607
2-chloro-6-(2,3,5-trimethylphenoxy)aniline
CID 113458731
(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine
CID 28551604
2-(2-amino-3-chlorophenoxy)benzonitrile
CID 104834949
2-chloro-6-(3,4-dimethylphenoxy)aniline
CID 104834930
2-amino-3-(2,4-dichlorophenoxy)benzoic acid
CID 113333260
2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline
CID 60789446

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,5-dichlorophenoxy)aniline?
The IUPAC name of 2-chloro-6-(2,5-dichlorophenoxy)aniline (CID 113458716) is 2-chloro-6-(2,5-dichlorophenoxy)aniline.
What is the SMILES notation for 2-chloro-6-(2,5-dichlorophenoxy)aniline?
The canonical SMILES for 2-chloro-6-(2,5-dichlorophenoxy)aniline is Nc1c(Cl)cccc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-chloro-6-(2,5-dichlorophenoxy)aniline?
The InChIKey is KNPCZIUPXIHYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c13-7-4-5-8(14)11(6-7)17-10-3-1-2-9(15)12(10)16/h1-6H,16H2.
What are the key properties of 2-chloro-6-(2,5-dichlorophenoxy)aniline?
2-chloro-6-(2,5-dichlorophenoxy)aniline has a molecular weight of 288.56 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,5-dichlorophenoxy)aniline is sourced from PubChem (CID 113458716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).