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

C14H13Cl2NO — CID 115555326

IUPAC2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
SMILESCc1ccc(Oc2cc(Cl)c(N)cc2C)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO/c1-8-3-4-13(11(16)5-8)18-14-7-10(15)12(17)6-9(14)2/h3-7H,17H2,1-2H3
InChIKeyZSRQQCQNUXYRQB-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.98
Rot. Bonds2

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

2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline (PubChem CID 115555326) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
PubChem CID115555326
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
SMILESCc1ccc(Oc2cc(Cl)c(N)cc2C)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO/c1-8-3-4-13(11(16)5-8)18-14-7-10(15)12(17)6-9(14)2/h3-7H,17H2,1-2H3
InChIKeyZSRQQCQNUXYRQB-UHFFFAOYSA-N
XLogP4.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.98
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-bromo-4-methylphenoxy)-2-chloro-5-methylaniline
CID 113334445
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
2-chloro-6-(2-chloro-4-methylphenoxy)aniline
CID 113458741
4-(2-chloro-4-methylphenoxy)-3-iodoaniline
CID 66094007
2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline
CID 115555233
2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline
CID 113334465
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554
2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline
CID 62670079
4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline
CID 20555108
2-chloro-4-methylaniline
CID 12007
[4-(2-chloro-4-methylphenoxy)-3-methylphenyl]methanol
CID 62673606
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline?
The IUPAC name of 2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline (CID 115555326) is 2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline.
What is the SMILES notation for 2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline?
The canonical SMILES for 2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline is Cc1ccc(Oc2cc(Cl)c(N)cc2C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline?
The InChIKey is ZSRQQCQNUXYRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-8-3-4-13(11(16)5-8)18-14-7-10(15)12(17)6-9(14)2/h3-7H,17H2,1-2H3.
What are the key properties of 2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline?
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline has a molecular weight of 282.17 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline is sourced from PubChem (CID 115555326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).