3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline

C15H14Cl3NO — CID 70632825

IUPAC3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline
SMILESCC(Oc1ccc(Cl)cc1Cl)N(C)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl3NO/c1-10(19(2)13-5-3-4-11(16)8-13)20-15-7-6-12(17)9-14(15)18/h3-10H,1-2H3
InChIKeyKLFWKJFTMYBFKG-UHFFFAOYSA-N
MW330.64 g/mol
LogP5.51
Rot. Bonds4

About 3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline

3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline (PubChem CID 70632825) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline
PubChem CID70632825
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline
SMILESCC(Oc1ccc(Cl)cc1Cl)N(C)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl3NO/c1-10(19(2)13-5-3-4-11(16)8-13)20-15-7-6-12(17)9-14(15)18/h3-10H,1-2H3
InChIKeyKLFWKJFTMYBFKG-UHFFFAOYSA-N
XLogP5.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.64
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-propylaniline
CID 70632637
N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline
CID 70632490
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 82032140
2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
CID 71229942
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline
CID 70632627
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)
CID 88780474
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17227762

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline?
The IUPAC name of 3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline (CID 70632825) is 3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline.
What is the SMILES notation for 3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline?
The canonical SMILES for 3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline is CC(Oc1ccc(Cl)cc1Cl)N(C)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline?
The InChIKey is KLFWKJFTMYBFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO/c1-10(19(2)13-5-3-4-11(16)8-13)20-15-7-6-12(17)9-14(15)18/h3-10H,1-2H3.
What are the key properties of 3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline?
3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline has a molecular weight of 330.64 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,4-dichlorophenoxy)ethyl]-N-methylaniline is sourced from PubChem (CID 70632825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).