N-(4-aminophenyl)hydroxylamine;ethane

C8H14N2O — CID 23345368

IUPACN-(4-aminophenyl)hydroxylamine;ethane
SMILESCC.Nc1ccc(NO)cc1
InChIInChI=1S/C6H8N2O.C2H6/c7-5-1-3-6(8-9)4-2-5;1-2/h1-4,8-9H,7H2;1-2H3
InChIKeyXSAHAWGCZUBZQE-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.10
Rot. Bonds1

About N-(4-aminophenyl)hydroxylamine;ethane

N-(4-aminophenyl)hydroxylamine;ethane (PubChem CID 23345368) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(4-aminophenyl)hydroxylamine;ethane.

Molecular Properties

Compound NameN-(4-aminophenyl)hydroxylamine;ethane
PubChem CID23345368
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(4-aminophenyl)hydroxylamine;ethane
SMILESCC.Nc1ccc(NO)cc1
InChIInChI=1S/C6H8N2O.C2H6/c7-5-1-3-6(8-9)4-2-5;1-2/h1-4,8-9H,7H2;1-2H3
InChIKeyXSAHAWGCZUBZQE-UHFFFAOYSA-N
XLogP2.10
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 N-(4-aminophenyl)hydroxylamine;ethane?
The IUPAC name of N-(4-aminophenyl)hydroxylamine;ethane (CID 23345368) is N-(4-aminophenyl)hydroxylamine;ethane.
What is the SMILES notation for N-(4-aminophenyl)hydroxylamine;ethane?
The canonical SMILES for N-(4-aminophenyl)hydroxylamine;ethane is CC.Nc1ccc(NO)cc1.
What is the InChIKey of N-(4-aminophenyl)hydroxylamine;ethane?
The InChIKey is XSAHAWGCZUBZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C2H6/c7-5-1-3-6(8-9)4-2-5;1-2/h1-4,8-9H,7H2;1-2H3.
What are the key properties of N-(4-aminophenyl)hydroxylamine;ethane?
N-(4-aminophenyl)hydroxylamine;ethane has a molecular weight of 154.21 g/mol, XLogP of 2.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)hydroxylamine;ethane is sourced from PubChem (CID 23345368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).