5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline

C14H13Cl2NO2 — CID 39418964

IUPAC5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
SMILESNc1cc(Cl)ccc1OCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO2/c15-10-1-4-12(5-2-10)18-7-8-19-14-6-3-11(16)9-13(14)17/h1-6,9H,7-8,17H2
InChIKeyJCOIPTUYSDBBQW-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.03
Rot. Bonds5

About 5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline

5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline (PubChem CID 39418964) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline.

Molecular Properties

Compound Name5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
PubChem CID39418964
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
SMILESNc1cc(Cl)ccc1OCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO2/c15-10-1-4-12(5-2-10)18-7-8-19-14-6-3-11(16)9-13(14)17/h1-6,9H,7-8,17H2
InChIKeyJCOIPTUYSDBBQW-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'}

Analyze 5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-amino-4-[2-(4-chlorophenoxy)ethoxy]phenyl]ethanone
CID 93212295
4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline
CID 43365979
5-chloro-2-decoxyaniline
CID 55187694
5-chloro-2-(3,3,3-trifluoropropoxy)aniline
CID 62056679
5-chloro-2-(2-methylsulfonylethoxy)aniline
CID 56828923
5-chloro-2-[2-(2,3,6-trimethylphenoxy)ethoxy]aniline
CID 39438999
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline
CID 39399760
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103176787
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
4-(2-amino-4-chlorophenoxy)-2-methylbutan-2-ol
CID 79360783
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565
5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline
CID 39438987

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline?
The IUPAC name of 5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline (CID 39418964) is 5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline.
What is the SMILES notation for 5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline?
The canonical SMILES for 5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline is Nc1cc(Cl)ccc1OCCOc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline?
The InChIKey is JCOIPTUYSDBBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c15-10-1-4-12(5-2-10)18-7-8-19-14-6-3-11(16)9-13(14)17/h1-6,9H,7-8,17H2.
What are the key properties of 5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline?
5-chloro-2-[2-(4-chlorophenoxy)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 5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline is sourced from PubChem (CID 39418964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).