2-ethyl-5-nitroaniline

C8H10N2O2 — CID 4155478

IUPAC2-ethyl-5-nitroaniline
SMILESCCc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C8H10N2O2/c1-2-6-3-4-7(10(11)12)5-8(6)9/h3-5H,2,9H2,1H3
InChIKeyMMZWMCKTKJKIMC-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.74
Rot. Bonds2

About 2-ethyl-5-nitroaniline

2-ethyl-5-nitroaniline (PubChem CID 4155478) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-ethyl-5-nitroaniline.

Molecular Properties

Compound Name2-ethyl-5-nitroaniline
PubChem CID4155478
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-ethyl-5-nitroaniline
SMILESCCc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C8H10N2O2/c1-2-6-3-4-7(10(11)12)5-8(6)9/h3-5H,2,9H2,1H3
InChIKeyMMZWMCKTKJKIMC-UHFFFAOYSA-N
XLogP1.74
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-nitroaniline?
The IUPAC name of 2-ethyl-5-nitroaniline (CID 4155478) is 2-ethyl-5-nitroaniline.
What is the SMILES notation for 2-ethyl-5-nitroaniline?
The canonical SMILES for 2-ethyl-5-nitroaniline is CCc1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of 2-ethyl-5-nitroaniline?
The InChIKey is MMZWMCKTKJKIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-6-3-4-7(10(11)12)5-8(6)9/h3-5H,2,9H2,1H3.
What are the key properties of 2-ethyl-5-nitroaniline?
2-ethyl-5-nitroaniline has a molecular weight of 166.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-nitroaniline is sourced from PubChem (CID 4155478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).