2-[2-(2,4-dichlorophenoxy)ethoxy]aniline

C14H13Cl2NO2 — CID 39418958

IUPAC2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
SMILESNc1ccccc1OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO2/c15-10-5-6-13(11(16)9-10)18-7-8-19-14-4-2-1-3-12(14)17/h1-6,9H,7-8,17H2
InChIKeyQLKZCJQGTPWVAV-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.03
Rot. Bonds5

About 2-[2-(2,4-dichlorophenoxy)ethoxy]aniline

2-[2-(2,4-dichlorophenoxy)ethoxy]aniline (PubChem CID 39418958) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenoxy)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
PubChem CID39418958
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
SMILESNc1ccccc1OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO2/c15-10-5-6-13(11(16)9-10)18-7-8-19-14-4-2-1-3-12(14)17/h1-6,9H,7-8,17H2
InChIKeyQLKZCJQGTPWVAV-UHFFFAOYSA-N
XLogP4.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-bromo-4-chlorophenoxy)propoxy]aniline
CID 43365975
2,5-dichloroaniline;2-ethoxyaniline
CID 19102396
5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline
CID 39438987
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
2-[3-(3-chlorophenoxy)propoxy]aniline
CID 43365954
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline
CID 39399760
2-[3-(3-chlorophenyl)sulfanylpropoxy]aniline
CID 62645754
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine
CID 43300675
3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine
CID 57393480

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenoxy)ethoxy]aniline?
The IUPAC name of 2-[2-(2,4-dichlorophenoxy)ethoxy]aniline (CID 39418958) is 2-[2-(2,4-dichlorophenoxy)ethoxy]aniline.
What is the SMILES notation for 2-[2-(2,4-dichlorophenoxy)ethoxy]aniline?
The canonical SMILES for 2-[2-(2,4-dichlorophenoxy)ethoxy]aniline is Nc1ccccc1OCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(2,4-dichlorophenoxy)ethoxy]aniline?
The InChIKey is QLKZCJQGTPWVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c15-10-5-6-13(11(16)9-10)18-7-8-19-14-4-2-1-3-12(14)17/h1-6,9H,7-8,17H2.
What are the key properties of 2-[2-(2,4-dichlorophenoxy)ethoxy]aniline?
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline has a molecular weight of 298.17 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenoxy)ethoxy]aniline is sourced from PubChem (CID 39418958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).