4-(2,4-dichlorophenoxy)aniline

C12H9Cl2NO — CID 26940

IUPAC4-(2,4-dichlorophenoxy)aniline
SMILESNc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H9Cl2NO/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7H,15H2
InChIKeyRWDOREOERSVIRK-UHFFFAOYSA-N
MW254.12 g/mol
LogP4.37
Rot. Bonds2

About 4-(2,4-dichlorophenoxy)aniline

4-(2,4-dichlorophenoxy)aniline (PubChem CID 26940) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)aniline.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)aniline
PubChem CID26940
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name4-(2,4-dichlorophenoxy)aniline
SMILESNc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H9Cl2NO/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7H,15H2
InChIKeyRWDOREOERSVIRK-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Nitrofen
CID 15787
Chlornitrofen
CID 15788
4-(4-Chlorophenoxy)aniline
CID 7578
4,4'-Oxybis(2-chlorobenzenamine)
CID 34239
3-Chloro-4-methoxyaniline
CID 21441
4-(2-Chlorophenoxy)aniline
CID 41973
5-Chloro-2-phenoxyaniline
CID 66738
Benzenamine, 5-chloro-2-(4-chlorophenoxy)-, hydrochloride (1:1)
CID 80414
3-Chloro-4-(4-chlorophenoxy)aniline
CID 90644
Benzenamine, 5-chloro-2-(4-chlorophenoxy)-
CID 67135
Benzenamine, 5-chloro-2-(2,4-dichlorophenoxy)-
CID 92602
4-(2,4,6-Trichlorophenoxy)aniline
CID 33473

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)aniline?
The IUPAC name of 4-(2,4-dichlorophenoxy)aniline (CID 26940) is 4-(2,4-dichlorophenoxy)aniline.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)aniline?
The canonical SMILES for 4-(2,4-dichlorophenoxy)aniline is Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)aniline?
The InChIKey is RWDOREOERSVIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7H,15H2.
What are the key properties of 4-(2,4-dichlorophenoxy)aniline?
4-(2,4-dichlorophenoxy)aniline has a molecular weight of 254.12 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)aniline is sourced from PubChem (CID 26940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).