5-chloro-4-(2-chlorophenoxy)-2-methylaniline

C13H11Cl2NO — CID 118588956

IUPAC5-chloro-4-(2-chlorophenoxy)-2-methylaniline
SMILESCc1cc(Oc2ccccc2Cl)c(Cl)cc1N
InChIInChI=1S/C13H11Cl2NO/c1-8-6-13(10(15)7-11(8)16)17-12-5-3-2-4-9(12)14/h2-7H,16H2,1H3
InChIKeyNQYAHEVKXGOXOH-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.68
Rot. Bonds2

About 5-chloro-4-(2-chlorophenoxy)-2-methylaniline

5-chloro-4-(2-chlorophenoxy)-2-methylaniline (PubChem CID 118588956) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 5-chloro-4-(2-chlorophenoxy)-2-methylaniline.

Molecular Properties

Compound Name5-chloro-4-(2-chlorophenoxy)-2-methylaniline
PubChem CID118588956
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name5-chloro-4-(2-chlorophenoxy)-2-methylaniline
SMILESCc1cc(Oc2ccccc2Cl)c(Cl)cc1N
InChIInChI=1S/C13H11Cl2NO/c1-8-6-13(10(15)7-11(8)16)17-12-5-3-2-4-9(12)14/h2-7H,16H2,1H3
InChIKeyNQYAHEVKXGOXOH-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'}

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Related Compounds

5-chloro-4-(2-fluorophenoxy)-2-methylaniline
CID 153180265
2-(2-chloro-5-methylphenoxy)aniline
CID 26189098
6-(2-chlorophenoxy)-4-methylpyridin-3-amine
CID 79020774
2-(2-chlorophenoxy)-5-methylpyridin-3-amine
CID 66279781
4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline
CID 20555108
4-(2-aminophenoxy)-3-chloroaniline
CID 66486738
4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline
CID 79841207
(4-amino-2-chloro-5-methylphenyl) sulfite;azane
CID 175289666
2-chloro-6-(2-chloro-4-methylphenoxy)aniline
CID 113458741
1-chloro-2-(2-chlorophenoxy)-4-methyl-5-nitrobenzene;2-chlorophenol;1,2-dichloro-4-methyl-5-nitrobenzene
CID 159310224
[2-(2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926487
2-chloro-6-(2,3,5-trimethylphenoxy)aniline
CID 113458731

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-chlorophenoxy)-2-methylaniline?
The IUPAC name of 5-chloro-4-(2-chlorophenoxy)-2-methylaniline (CID 118588956) is 5-chloro-4-(2-chlorophenoxy)-2-methylaniline.
What is the SMILES notation for 5-chloro-4-(2-chlorophenoxy)-2-methylaniline?
The canonical SMILES for 5-chloro-4-(2-chlorophenoxy)-2-methylaniline is Cc1cc(Oc2ccccc2Cl)c(Cl)cc1N.
What is the InChIKey of 5-chloro-4-(2-chlorophenoxy)-2-methylaniline?
The InChIKey is NQYAHEVKXGOXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-8-6-13(10(15)7-11(8)16)17-12-5-3-2-4-9(12)14/h2-7H,16H2,1H3.
What are the key properties of 5-chloro-4-(2-chlorophenoxy)-2-methylaniline?
5-chloro-4-(2-chlorophenoxy)-2-methylaniline 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 5-chloro-4-(2-chlorophenoxy)-2-methylaniline is sourced from PubChem (CID 118588956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).