2-ethoxy-5-nitroaniline

C8H10N2O3 — CID 8702

IUPAC2-ethoxy-5-nitroaniline
SMILESCCOc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C8H10N2O3/c1-2-13-8-4-3-6(10(11)12)5-7(8)9/h3-5H,2,9H2,1H3
InChIKeyAMMPGYPPRLWMLW-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.58
Rot. Bonds3

About 2-ethoxy-5-nitroaniline

2-ethoxy-5-nitroaniline (PubChem CID 8702) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-ethoxy-5-nitroaniline.

Molecular Properties

Compound Name2-ethoxy-5-nitroaniline
PubChem CID8702
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-ethoxy-5-nitroaniline
SMILESCCOc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C8H10N2O3/c1-2-13-8-4-3-6(10(11)12)5-7(8)9/h3-5H,2,9H2,1H3
InChIKeyAMMPGYPPRLWMLW-UHFFFAOYSA-N
XLogP1.58
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.58
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-Nitroanisole
CID 7048
2,4-Dinitroanisole
CID 8385
1,3-Benzenediamine, 4-methoxy-, sulfate (1:1)
CID 38221
2,4-Diaminoanisole
CID 11976
4-Nitrophenetol
CID 7495
2,4,6-Trinitroanisole
CID 11817
o-Phenetidine
CID 7203
2-Methoxy-5-nitroaniline
CID 7447
2,4-Diaminophenoxyethanol Dihydrochloride
CID 22321000
3'-Nitro-p-acetophenetidide
CID 15685
2-Nitrophenyl phenyl ether
CID 16661
5-Nitro-2-propoxyaniline
CID 11118

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-nitroaniline?
The IUPAC name of 2-ethoxy-5-nitroaniline (CID 8702) is 2-ethoxy-5-nitroaniline.
What is the SMILES notation for 2-ethoxy-5-nitroaniline?
The canonical SMILES for 2-ethoxy-5-nitroaniline is CCOc1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of 2-ethoxy-5-nitroaniline?
The InChIKey is AMMPGYPPRLWMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-13-8-4-3-6(10(11)12)5-7(8)9/h3-5H,2,9H2,1H3.
What are the key properties of 2-ethoxy-5-nitroaniline?
2-ethoxy-5-nitroaniline has a molecular weight of 182.18 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-nitroaniline is sourced from PubChem (CID 8702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).