4-(2,4-dichlorophenoxy)-2-ethoxyaniline

C14H13Cl2NO2 — CID 63675211

IUPAC4-(2,4-dichlorophenoxy)-2-ethoxyaniline
SMILESCCOc1cc(Oc2ccc(Cl)cc2Cl)ccc1N
InChIInChI=1S/C14H13Cl2NO2/c1-2-18-14-8-10(4-5-12(14)17)19-13-6-3-9(15)7-11(13)16/h3-8H,2,17H2,1H3
InChIKeyVDJIJXXUNSVYJO-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.77
Rot. Bonds4

About 4-(2,4-dichlorophenoxy)-2-ethoxyaniline

4-(2,4-dichlorophenoxy)-2-ethoxyaniline (PubChem CID 63675211) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-2-ethoxyaniline.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-2-ethoxyaniline
PubChem CID63675211
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name4-(2,4-dichlorophenoxy)-2-ethoxyaniline
SMILESCCOc1cc(Oc2ccc(Cl)cc2Cl)ccc1N
InChIInChI=1S/C14H13Cl2NO2/c1-2-18-14-8-10(4-5-12(14)17)19-13-6-3-9(15)7-11(13)16/h3-8H,2,17H2,1H3
InChIKeyVDJIJXXUNSVYJO-UHFFFAOYSA-N
XLogP4.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline
CID 63676750
4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline
CID 63676742
2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline
CID 63593248
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
3-(2,4-dichlorophenoxy)-5-propoxyaniline
CID 80748821
4-(3,4-dimethylphenoxy)-2-ethoxyaniline
CID 63676735
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933
2-ethoxy-4-(2-iodophenoxy)aniline
CID 63675223
2-ethoxy-4-(4-propylphenoxy)aniline
CID 63675228
4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
CID 63676329
2-ethoxy-4-propoxyaniline
CID 63677806
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-2-ethoxyaniline?
The IUPAC name of 4-(2,4-dichlorophenoxy)-2-ethoxyaniline (CID 63675211) is 4-(2,4-dichlorophenoxy)-2-ethoxyaniline.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-2-ethoxyaniline?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-2-ethoxyaniline is CCOc1cc(Oc2ccc(Cl)cc2Cl)ccc1N.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-2-ethoxyaniline?
The InChIKey is VDJIJXXUNSVYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-2-18-14-8-10(4-5-12(14)17)19-13-6-3-9(15)7-11(13)16/h3-8H,2,17H2,1H3.
What are the key properties of 4-(2,4-dichlorophenoxy)-2-ethoxyaniline?
4-(2,4-dichlorophenoxy)-2-ethoxyaniline has a molecular weight of 298.17 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-2-ethoxyaniline is sourced from PubChem (CID 63675211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).