O-(4-bromo-2,5-dimethylphenyl)hydroxylamine

C8H10BrNO — CID 117273115

IUPACO-(4-bromo-2,5-dimethylphenyl)hydroxylamine
SMILESCc1cc(ON)c(C)cc1Br
InChIInChI=1S/C8H10BrNO/c1-5-4-8(11-10)6(2)3-7(5)9/h3-4H,10H2,1-2H3
InChIKeyXJOHZZUHXYDLPS-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.32
Rot. Bonds1

About O-(4-bromo-2,5-dimethylphenyl)hydroxylamine

O-(4-bromo-2,5-dimethylphenyl)hydroxylamine (PubChem CID 117273115) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is O-(4-bromo-2,5-dimethylphenyl)hydroxylamine.

Molecular Properties

Compound NameO-(4-bromo-2,5-dimethylphenyl)hydroxylamine
PubChem CID117273115
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC NameO-(4-bromo-2,5-dimethylphenyl)hydroxylamine
SMILESCc1cc(ON)c(C)cc1Br
InChIInChI=1S/C8H10BrNO/c1-5-4-8(11-10)6(2)3-7(5)9/h3-4H,10H2,1-2H3
InChIKeyXJOHZZUHXYDLPS-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
O-(4-bromo-2-methylphenyl)hydroxylamine
CID 130500330
2,5-dibromo-4-methylaniline
CID 15752291
4-[(4-bromo-2,5-dimethylphenoxy)methyl]aniline
CID 22688159
O-(3-bromo-4-methylphenyl)hydroxylamine
CID 131165484
4-(4-bromo-2,5-dimethylphenoxy)piperidine
CID 84715274
(5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine
CID 168531018
4-bromo-2,5-dimethylbenzenethiol
CID 54039702
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one
CID 65439526
4-bromo-2-methoxy-5-methylbenzenethiol
CID 130137178
4-bromo-2,5-dimethylaniline;formic acid
CID 169101784
4-bromo-2,5-dimethylbenzonitrile
CID 56604249

Frequently Asked Questions

What is the IUPAC name of O-(4-bromo-2,5-dimethylphenyl)hydroxylamine?
The IUPAC name of O-(4-bromo-2,5-dimethylphenyl)hydroxylamine (CID 117273115) is O-(4-bromo-2,5-dimethylphenyl)hydroxylamine.
What is the SMILES notation for O-(4-bromo-2,5-dimethylphenyl)hydroxylamine?
The canonical SMILES for O-(4-bromo-2,5-dimethylphenyl)hydroxylamine is Cc1cc(ON)c(C)cc1Br.
What is the InChIKey of O-(4-bromo-2,5-dimethylphenyl)hydroxylamine?
The InChIKey is XJOHZZUHXYDLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5-4-8(11-10)6(2)3-7(5)9/h3-4H,10H2,1-2H3.
What are the key properties of O-(4-bromo-2,5-dimethylphenyl)hydroxylamine?
O-(4-bromo-2,5-dimethylphenyl)hydroxylamine has a molecular weight of 216.08 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-bromo-2,5-dimethylphenyl)hydroxylamine is sourced from PubChem (CID 117273115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).