3-chloro-4-(4-chlorophenoxy)-N-methylaniline

C13H11Cl2NO — CID 153365322

IUPAC3-chloro-4-(4-chlorophenoxy)-N-methylaniline
SMILESCNc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO/c1-16-10-4-7-13(12(15)8-10)17-11-5-2-9(14)3-6-11/h2-8,16H,1H3
InChIKeyQDSHNTKHJGMCNC-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.83
Rot. Bonds3

About 3-chloro-4-(4-chlorophenoxy)-N-methylaniline

3-chloro-4-(4-chlorophenoxy)-N-methylaniline (PubChem CID 153365322) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 3-chloro-4-(4-chlorophenoxy)-N-methylaniline.

Molecular Properties

Compound Name3-chloro-4-(4-chlorophenoxy)-N-methylaniline
PubChem CID153365322
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name3-chloro-4-(4-chlorophenoxy)-N-methylaniline
SMILESCNc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO/c1-16-10-4-7-13(12(15)8-10)17-11-5-2-9(14)3-6-11/h2-8,16H,1H3
InChIKeyQDSHNTKHJGMCNC-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-chloro-4-(4-chlorophenoxy)anilino]-4-oxobutanoic acid
CID 3746788
[4-(2,4-dichlorophenoxy)anilino] acetate
CID 154699813
N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 12598084
3-chloro-4-fluoro-N-methylaniline;ethane
CID 142993697
N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 129225585
4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline
CID 176688686
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
3-(2,4-dichlorophenoxy)-N-methyl-5-nitroaniline
CID 80869013
4-(5-chloro-2-nitrophenoxy)-N-methylaniline
CID 115471949
N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate
CID 23451831
1-(3-chloro-4-phenoxyphenyl)-3-methylurea
CID 139434055
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-chlorophenoxy)-N-methylaniline?
The IUPAC name of 3-chloro-4-(4-chlorophenoxy)-N-methylaniline (CID 153365322) is 3-chloro-4-(4-chlorophenoxy)-N-methylaniline.
What is the SMILES notation for 3-chloro-4-(4-chlorophenoxy)-N-methylaniline?
The canonical SMILES for 3-chloro-4-(4-chlorophenoxy)-N-methylaniline is CNc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(4-chlorophenoxy)-N-methylaniline?
The InChIKey is QDSHNTKHJGMCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-16-10-4-7-13(12(15)8-10)17-11-5-2-9(14)3-6-11/h2-8,16H,1H3.
What are the key properties of 3-chloro-4-(4-chlorophenoxy)-N-methylaniline?
3-chloro-4-(4-chlorophenoxy)-N-methylaniline has a molecular weight of 268.14 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-chlorophenoxy)-N-methylaniline is sourced from PubChem (CID 153365322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).