4-(ethylamino)-2-nitrophenol

C8H10N2O3 — CID 57133971

IUPAC4-(ethylamino)-2-nitrophenol
SMILESCCNc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c1-2-9-6-3-4-8(11)7(5-6)10(12)13/h3-5,9,11H,2H2,1H3
InChIKeyASKLDQSUKZRKBA-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.73
Rot. Bonds3

About 4-(ethylamino)-2-nitrophenol

4-(ethylamino)-2-nitrophenol (PubChem CID 57133971) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-(ethylamino)-2-nitrophenol.

Molecular Properties

Compound Name4-(ethylamino)-2-nitrophenol
PubChem CID57133971
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-(ethylamino)-2-nitrophenol
SMILESCCNc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c1-2-9-6-3-4-8(11)7(5-6)10(12)13/h3-5,9,11H,2H2,1H3
InChIKeyASKLDQSUKZRKBA-UHFFFAOYSA-N
XLogP1.73
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
CID 57469469
N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62150565
ethyl N-[4-(ethylamino)-2-nitrophenyl]carbamate
CID 144511742
4-[2-(4-hydroxy-3-nitrophenyl)butan-2-yl]-2-nitrophenol
CID 139610575
N-ethyl-4-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide
CID 62143928
N-ethyl-4-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 62146185
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-nitrophenol
CID 168579558
N-(4-ethylsulfonylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 30180860
N-ethylaniline;2,4,6-trinitrophenol
CID 121004377
N-tert-butyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62149483
N-butyl-4-(ethylamino)-2-nitrobenzenesulfonamide
CID 62148528
5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
CID 83023600

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-nitrophenol?
The IUPAC name of 4-(ethylamino)-2-nitrophenol (CID 57133971) is 4-(ethylamino)-2-nitrophenol.
What is the SMILES notation for 4-(ethylamino)-2-nitrophenol?
The canonical SMILES for 4-(ethylamino)-2-nitrophenol is CCNc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(ethylamino)-2-nitrophenol?
The InChIKey is ASKLDQSUKZRKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-9-6-3-4-8(11)7(5-6)10(12)13/h3-5,9,11H,2H2,1H3.
What are the key properties of 4-(ethylamino)-2-nitrophenol?
4-(ethylamino)-2-nitrophenol has a molecular weight of 182.18 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-nitrophenol is sourced from PubChem (CID 57133971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).