N-(2-tert-butyl-4-nitrophenyl)hydroxylamine

C10H14N2O3 — CID 18546587

IUPACN-(2-tert-butyl-4-nitrophenyl)hydroxylamine
SMILESCC(C)(C)c1cc([N+](=O)[O-])ccc1NO
InChIInChI=1S/C10H14N2O3/c1-10(2,3)8-6-7(12(14)15)4-5-9(8)11-13/h4-6,11,13H,1-3H3
InChIKeyFZRVEAJWGCZTCB-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.69
Rot. Bonds2

About N-(2-tert-butyl-4-nitrophenyl)hydroxylamine

N-(2-tert-butyl-4-nitrophenyl)hydroxylamine (PubChem CID 18546587) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-(2-tert-butyl-4-nitrophenyl)hydroxylamine.

Molecular Properties

Compound NameN-(2-tert-butyl-4-nitrophenyl)hydroxylamine
PubChem CID18546587
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN-(2-tert-butyl-4-nitrophenyl)hydroxylamine
SMILESCC(C)(C)c1cc([N+](=O)[O-])ccc1NO
InChIInChI=1S/C10H14N2O3/c1-10(2,3)8-6-7(12(14)15)4-5-9(8)11-13/h4-6,11,13H,1-3H3
InChIKeyFZRVEAJWGCZTCB-UHFFFAOYSA-N
XLogP2.69
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-tert-butyl-1-methylsulfanyl-4-nitrobenzene
CID 171976395
N-(3,3-dimethylbutan-2-yl)-4-nitro-2-(trifluoromethyl)aniline
CID 104828660
(2-tert-butyl-4-nitrophenyl) acetate
CID 151212861
methyl 2-tert-butyl-5-nitrobenzoate
CID 20815738
1-(2-tert-butyl-5-nitroanilino)-3-chloropropan-2-ol
CID 168640354
2-[4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 2914060
2-(2-fluoro-4-nitroanilino)-2-methylpropanoic acid
CID 61265723
3-(4-tert-butylphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 805453
N-(3,3-dimethylbutan-2-yl)-2,4-dinitroaniline
CID 115685841
2-methyl-2-(2-methyl-5-nitrophenyl)propanoic acid
CID 131526104
2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
CID 54935573
2-(2-carbamoyl-4-nitroanilino)-2-methylpropanoic acid
CID 61264170

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4-nitrophenyl)hydroxylamine?
The IUPAC name of N-(2-tert-butyl-4-nitrophenyl)hydroxylamine (CID 18546587) is N-(2-tert-butyl-4-nitrophenyl)hydroxylamine.
What is the SMILES notation for N-(2-tert-butyl-4-nitrophenyl)hydroxylamine?
The canonical SMILES for N-(2-tert-butyl-4-nitrophenyl)hydroxylamine is CC(C)(C)c1cc([N+](=O)[O-])ccc1NO.
What is the InChIKey of N-(2-tert-butyl-4-nitrophenyl)hydroxylamine?
The InChIKey is FZRVEAJWGCZTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)8-6-7(12(14)15)4-5-9(8)11-13/h4-6,11,13H,1-3H3.
What are the key properties of N-(2-tert-butyl-4-nitrophenyl)hydroxylamine?
N-(2-tert-butyl-4-nitrophenyl)hydroxylamine has a molecular weight of 210.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4-nitrophenyl)hydroxylamine is sourced from PubChem (CID 18546587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).