4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline

C12H8Cl4N2O — CID 20555108

IUPAC4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline
SMILESNc1cc(Cl)c(Oc2cc(Cl)c(N)cc2Cl)cc1Cl
InChIInChI=1S/C12H8Cl4N2O/c13-5-3-11(7(15)1-9(5)17)19-12-4-6(14)10(18)2-8(12)16/h1-4H,17-18H2
InChIKeyFKMXGRMLZQGNNE-UHFFFAOYSA-N
MW338.02 g/mol
LogP5.26
Rot. Bonds2

About 4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline

4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline (PubChem CID 20555108) has the molecular formula C12H8Cl4N2O and a molecular weight of 338.02 g/mol. Its IUPAC name is 4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline.

Molecular Properties

Compound Name4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline
PubChem CID20555108
Molecular FormulaC12H8Cl4N2O
Molecular Weight338.02 g/mol
Exact Mass335.94
IUPAC Name4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline
SMILESNc1cc(Cl)c(Oc2cc(Cl)c(N)cc2Cl)cc1Cl
InChIInChI=1S/C12H8Cl4N2O/c13-5-3-11(7(15)1-9(5)17)19-12-4-6(14)10(18)2-8(12)16/h1-4H,17-18H2
InChIKeyFKMXGRMLZQGNNE-UHFFFAOYSA-N
XLogP5.26
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.02
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
5-chloro-4-(2-chlorophenoxy)-2-methylaniline
CID 118588956
4-(2,4,5-trichlorophenoxy)benzene-1,2-diamine
CID 106748304
5-chloro-4-(2-fluorophenoxy)-2-methylaniline
CID 153180265
4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
CID 118162049
2-(2-chloro-5-methylphenoxy)aniline
CID 26189098
4-(2-bromo-4-methylphenoxy)-2-chloro-5-methylaniline
CID 113334445
8-(2,4,5-trichlorophenoxy)isoquinolin-5-amine
CID 103139705
2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline
CID 115555233
2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline
CID 113334465
2-nitro-3-(2,4,5-trichlorophenoxy)aniline
CID 80863372

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline?
The IUPAC name of 4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline (CID 20555108) is 4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline.
What is the SMILES notation for 4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline?
The canonical SMILES for 4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline is Nc1cc(Cl)c(Oc2cc(Cl)c(N)cc2Cl)cc1Cl.
What is the InChIKey of 4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline?
The InChIKey is FKMXGRMLZQGNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl4N2O/c13-5-3-11(7(15)1-9(5)17)19-12-4-6(14)10(18)2-8(12)16/h1-4H,17-18H2.
What are the key properties of 4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline?
4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline has a molecular weight of 338.02 g/mol, XLogP of 5.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline is sourced from PubChem (CID 20555108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).