2-(4-chloro-3-ethylphenoxy)-5-nitroaniline

C14H13ClN2O3 — CID 63458584

IUPAC2-(4-chloro-3-ethylphenoxy)-5-nitroaniline
SMILESCCc1cc(Oc2ccc([N+](=O)[O-])cc2N)ccc1Cl
InChIInChI=1S/C14H13ClN2O3/c1-2-9-7-11(4-5-12(9)15)20-14-6-3-10(17(18)19)8-13(14)16/h3-8H,2,16H2,1H3
InChIKeyZWJAXFOIZBDLPV-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.19
Rot. Bonds4

About 2-(4-chloro-3-ethylphenoxy)-5-nitroaniline

2-(4-chloro-3-ethylphenoxy)-5-nitroaniline (PubChem CID 63458584) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-5-nitroaniline.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-5-nitroaniline
PubChem CID63458584
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-(4-chloro-3-ethylphenoxy)-5-nitroaniline
SMILESCCc1cc(Oc2ccc([N+](=O)[O-])cc2N)ccc1Cl
InChIInChI=1S/C14H13ClN2O3/c1-2-9-7-11(4-5-12(9)15)20-14-6-3-10(17(18)19)8-13(14)16/h3-8H,2,16H2,1H3
InChIKeyZWJAXFOIZBDLPV-UHFFFAOYSA-N
XLogP4.19
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenoxy)-5-nitroaniline
CID 62506652
2-(3,4-dimethylphenoxy)-5-nitroaniline
CID 62507482
3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 60986682
2-(3,4-difluorophenoxy)-5-nitroaniline
CID 62506985
4-(4-chloro-3-ethylphenoxy)-3-nitrobenzonitrile
CID 16960381
1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene
CID 80752060
5-(2-chloro-4-nitrophenoxy)-2-nitroaniline
CID 106752023
5-(2-chloro-5-nitrophenoxy)-2-nitroaniline
CID 106752058
2-(3-bromo-4-fluorophenoxy)-5-nitroaniline
CID 83233807
2-(4-chloro-2-methylphenoxy)-5-nitroaniline
CID 62508306
2-(4-bromo-3,5-dimethylphenoxy)-5-nitroaniline
CID 107722583
2-(3-fluorophenoxy)-5-nitroaniline
CID 55079751

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-5-nitroaniline?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-5-nitroaniline (CID 63458584) is 2-(4-chloro-3-ethylphenoxy)-5-nitroaniline.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-5-nitroaniline?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-5-nitroaniline is CCc1cc(Oc2ccc([N+](=O)[O-])cc2N)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-5-nitroaniline?
The InChIKey is ZWJAXFOIZBDLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-2-9-7-11(4-5-12(9)15)20-14-6-3-10(17(18)19)8-13(14)16/h3-8H,2,16H2,1H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-5-nitroaniline?
2-(4-chloro-3-ethylphenoxy)-5-nitroaniline has a molecular weight of 292.72 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)-5-nitroaniline is sourced from PubChem (CID 63458584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).