azane;1-ethyl-4-nitrobenzene

C8H12N2O2 — CID 19043225

IUPACazane;1-ethyl-4-nitrobenzene
SMILESCCc1ccc([N+](=O)[O-])cc1.N
InChIInChI=1S/C8H9NO2.H3N/c1-2-7-3-5-8(6-4-7)9(10)11;/h3-6H,2H2,1H3;1H3
InChIKeyRXBZGPUAKGGJRX-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.32
Rot. Bonds2

About azane;1-ethyl-4-nitrobenzene

azane;1-ethyl-4-nitrobenzene (PubChem CID 19043225) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is azane;1-ethyl-4-nitrobenzene.

Molecular Properties

Compound Nameazane;1-ethyl-4-nitrobenzene
PubChem CID19043225
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameazane;1-ethyl-4-nitrobenzene
SMILESCCc1ccc([N+](=O)[O-])cc1.N
InChIInChI=1S/C8H9NO2.H3N/c1-2-7-3-5-8(6-4-7)9(10)11;/h3-6H,2H2,1H3;1H3
InChIKeyRXBZGPUAKGGJRX-UHFFFAOYSA-N
XLogP2.32
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium
CID 8857638
1-ethyl-4-nitrobenzene;1-phenylethylbenzene
CID 145486394
1-[diazo-(4-nitrophenyl)methyl]-4-ethylbenzene
CID 58059715
ethane;1-nitro-4-propylbenzene
CID 123575523
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
triethyl-[(4-nitrophenyl)methyl]azanium
CID 13139181
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
dimethyl-[(4-nitrophenyl)methyl]stibane
CID 87343420
1-(2-ethylsulfonylethyl)-4-nitrobenzene
CID 147385511
1-nitro-4-propylbenzene;propan-1-amine
CID 144859121
(Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 1292563

Frequently Asked Questions

What is the IUPAC name of azane;1-ethyl-4-nitrobenzene?
The IUPAC name of azane;1-ethyl-4-nitrobenzene (CID 19043225) is azane;1-ethyl-4-nitrobenzene.
What is the SMILES notation for azane;1-ethyl-4-nitrobenzene?
The canonical SMILES for azane;1-ethyl-4-nitrobenzene is CCc1ccc([N+](=O)[O-])cc1.N.
What is the InChIKey of azane;1-ethyl-4-nitrobenzene?
The InChIKey is RXBZGPUAKGGJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.H3N/c1-2-7-3-5-8(6-4-7)9(10)11;/h3-6H,2H2,1H3;1H3.
What are the key properties of azane;1-ethyl-4-nitrobenzene?
azane;1-ethyl-4-nitrobenzene has a molecular weight of 168.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-ethyl-4-nitrobenzene is sourced from PubChem (CID 19043225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).