4-(2,5-dichlorophenoxy)-2-methylaniline

C13H11Cl2NO — CID 43436377

IUPAC4-(2,5-dichlorophenoxy)-2-methylaniline
SMILESCc1cc(Oc2cc(Cl)ccc2Cl)ccc1N
InChIInChI=1S/C13H11Cl2NO/c1-8-6-10(3-5-12(8)16)17-13-7-9(14)2-4-11(13)15/h2-7H,16H2,1H3
InChIKeyVZUTZSCMIKJSMF-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.68
Rot. Bonds2

About 4-(2,5-dichlorophenoxy)-2-methylaniline

4-(2,5-dichlorophenoxy)-2-methylaniline (PubChem CID 43436377) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 4-(2,5-dichlorophenoxy)-2-methylaniline.

Molecular Properties

Compound Name4-(2,5-dichlorophenoxy)-2-methylaniline
PubChem CID43436377
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name4-(2,5-dichlorophenoxy)-2-methylaniline
SMILESCc1cc(Oc2cc(Cl)ccc2Cl)ccc1N
InChIInChI=1S/C13H11Cl2NO/c1-8-6-10(3-5-12(8)16)17-13-7-9(14)2-4-11(13)15/h2-7H,16H2,1H3
InChIKeyVZUTZSCMIKJSMF-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

4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide
CID 43436524
2-amino-5-(2,5-dichlorophenoxy)benzonitrile
CID 115499728
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 115469223
4-(2,5-difluorophenoxy)-2-methylaniline
CID 63268652
2-(2,5-dichlorophenoxy)-6-methylpyridin-3-amine
CID 81132243
4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
4-bromo-2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 116736446
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
4-(4-bromo-2-fluorophenoxy)-2-methylaniline
CID 43436412
5-bromo-4-(3,4-dichlorophenoxy)-2-methylaniline
CID 114048399
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
2-amino-5-(4-chloro-3-methylphenoxy)benzoic acid
CID 60986913

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenoxy)-2-methylaniline?
The IUPAC name of 4-(2,5-dichlorophenoxy)-2-methylaniline (CID 43436377) is 4-(2,5-dichlorophenoxy)-2-methylaniline.
What is the SMILES notation for 4-(2,5-dichlorophenoxy)-2-methylaniline?
The canonical SMILES for 4-(2,5-dichlorophenoxy)-2-methylaniline is Cc1cc(Oc2cc(Cl)ccc2Cl)ccc1N.
What is the InChIKey of 4-(2,5-dichlorophenoxy)-2-methylaniline?
The InChIKey is VZUTZSCMIKJSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-8-6-10(3-5-12(8)16)17-13-7-9(14)2-4-11(13)15/h2-7H,16H2,1H3.
What are the key properties of 4-(2,5-dichlorophenoxy)-2-methylaniline?
4-(2,5-dichlorophenoxy)-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 4-(2,5-dichlorophenoxy)-2-methylaniline is sourced from PubChem (CID 43436377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).