4-ethoxy-3-nitroaniline;hydrochloride

C8H11ClN2O3 — CID 171316041

IUPAC4-ethoxy-3-nitroaniline;hydrochloride
SMILESCCOc1ccc(N)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C8H10N2O3.ClH/c1-2-13-8-4-3-6(9)5-7(8)10(11)12;/h3-5H,2,9H2,1H3;1H
InChIKeyVUQZZQVFOONNPW-UHFFFAOYSA-N
MW218.64 g/mol
LogP2.00
Rot. Bonds3

About 4-ethoxy-3-nitroaniline;hydrochloride

4-ethoxy-3-nitroaniline;hydrochloride (PubChem CID 171316041) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is 4-ethoxy-3-nitroaniline;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-3-nitroaniline;hydrochloride
PubChem CID171316041
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Name4-ethoxy-3-nitroaniline;hydrochloride
SMILESCCOc1ccc(N)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C8H10N2O3.ClH/c1-2-13-8-4-3-6(9)5-7(8)10(11)12;/h3-5H,2,9H2,1H3;1H
InChIKeyVUQZZQVFOONNPW-UHFFFAOYSA-N
XLogP2.00
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 52.00
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

(4-amino-2-nitrophenyl) hypochlorite
CID 172687565
4-ethoxy-3-nitrobenzenesulfonyl chloride
CID 21412386
1-(4-ethyl-2-nitrophenoxy)propan-2-amine
CID 102689380
3-N-(3-ethoxy-4-nitrophenyl)benzene-1,3-diamine
CID 63670571
1-[3-(2-ethoxyphenoxy)propoxy]-4-methyl-2-nitrobenzene
CID 2285595
[3-(4-ethoxy-3-nitrophenyl)-1-methylpyrazol-5-yl]methanamine
CID 84761551
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
1-bromo-3-(4-ethoxy-3-nitrophenyl)propan-2-one
CID 134616787
2-[5-(4-ethoxy-3-nitrophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82360125
2-(dimethylamino)-1-(4-ethoxy-3-nitrophenyl)ethanol
CID 82216660
1-(4-ethoxy-3-nitrophenyl)-2,3,4-trimethoxybenzene
CID 90953936
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-nitroaniline;hydrochloride?
The IUPAC name of 4-ethoxy-3-nitroaniline;hydrochloride (CID 171316041) is 4-ethoxy-3-nitroaniline;hydrochloride.
What is the SMILES notation for 4-ethoxy-3-nitroaniline;hydrochloride?
The canonical SMILES for 4-ethoxy-3-nitroaniline;hydrochloride is CCOc1ccc(N)cc1[N+](=O)[O-].Cl.
What is the InChIKey of 4-ethoxy-3-nitroaniline;hydrochloride?
The InChIKey is VUQZZQVFOONNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.ClH/c1-2-13-8-4-3-6(9)5-7(8)10(11)12;/h3-5H,2,9H2,1H3;1H.
What are the key properties of 4-ethoxy-3-nitroaniline;hydrochloride?
4-ethoxy-3-nitroaniline;hydrochloride has a molecular weight of 218.64 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-nitroaniline;hydrochloride is sourced from PubChem (CID 171316041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).