2-chloro-6-(2-chloro-4-methylphenoxy)aniline

C13H11Cl2NO — CID 113458741

IUPAC2-chloro-6-(2-chloro-4-methylphenoxy)aniline
SMILESCc1ccc(Oc2cccc(Cl)c2N)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO/c1-8-5-6-11(10(15)7-8)17-12-4-2-3-9(14)13(12)16/h2-7H,16H2,1H3
InChIKeyBFYWIPVGONOXGD-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.68
Rot. Bonds2

About 2-chloro-6-(2-chloro-4-methylphenoxy)aniline

2-chloro-6-(2-chloro-4-methylphenoxy)aniline (PubChem CID 113458741) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-chloro-6-(2-chloro-4-methylphenoxy)aniline.

Molecular Properties

Compound Name2-chloro-6-(2-chloro-4-methylphenoxy)aniline
PubChem CID113458741
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name2-chloro-6-(2-chloro-4-methylphenoxy)aniline
SMILESCc1ccc(Oc2cccc(Cl)c2N)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO/c1-8-5-6-11(10(15)7-8)17-12-4-2-3-9(14)13(12)16/h2-7H,16H2,1H3
InChIKeyBFYWIPVGONOXGD-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(2-chloro-4-methylphenoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(2,3,5-trimethylphenoxy)aniline
CID 113458731
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
1-[2-(2-chloro-4-methylphenoxy)-6-fluorophenyl]ethanamine
CID 62671655
2-chloro-6-(2,5-dichlorophenoxy)aniline
CID 113458716
4-(2-chloro-4-methylphenoxy)-3-iodoaniline
CID 66094007
2-chloro-6-(3,4-dimethylphenoxy)aniline
CID 104834930
2-(2-chloro-5-methylphenoxy)aniline
CID 26189098
[2-(2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926487
2-chloro-6-(2-iodophenoxy)aniline
CID 104835012
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
1-(2-chloro-4-methylphenoxy)anthracene-9,10-dione
CID 134117733
1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine
CID 112678472

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-chloro-4-methylphenoxy)aniline?
The IUPAC name of 2-chloro-6-(2-chloro-4-methylphenoxy)aniline (CID 113458741) is 2-chloro-6-(2-chloro-4-methylphenoxy)aniline.
What is the SMILES notation for 2-chloro-6-(2-chloro-4-methylphenoxy)aniline?
The canonical SMILES for 2-chloro-6-(2-chloro-4-methylphenoxy)aniline is Cc1ccc(Oc2cccc(Cl)c2N)c(Cl)c1.
What is the InChIKey of 2-chloro-6-(2-chloro-4-methylphenoxy)aniline?
The InChIKey is BFYWIPVGONOXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-8-5-6-11(10(15)7-8)17-12-4-2-3-9(14)13(12)16/h2-7H,16H2,1H3.
What are the key properties of 2-chloro-6-(2-chloro-4-methylphenoxy)aniline?
2-chloro-6-(2-chloro-4-methylphenoxy)aniline has a molecular weight of 268.14 g/mol, XLogP of 4.68, 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-chloro-4-methylphenoxy)aniline is sourced from PubChem (CID 113458741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).