O-(4-bromo-2-methylphenyl)hydroxylamine

C7H8BrNO — CID 130500330

IUPACO-(4-bromo-2-methylphenyl)hydroxylamine
SMILESCc1cc(Br)ccc1ON
InChIInChI=1S/C7H8BrNO/c1-5-4-6(8)2-3-7(5)10-9/h2-4H,9H2,1H3
InChIKeyUNBGSZCKQNILKB-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.01
Rot. Bonds1

About O-(4-bromo-2-methylphenyl)hydroxylamine

O-(4-bromo-2-methylphenyl)hydroxylamine (PubChem CID 130500330) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is O-(4-bromo-2-methylphenyl)hydroxylamine.

Molecular Properties

Compound NameO-(4-bromo-2-methylphenyl)hydroxylamine
PubChem CID130500330
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC NameO-(4-bromo-2-methylphenyl)hydroxylamine
SMILESCc1cc(Br)ccc1ON
InChIInChI=1S/C7H8BrNO/c1-5-4-6(8)2-3-7(5)10-9/h2-4H,9H2,1H3
InChIKeyUNBGSZCKQNILKB-UHFFFAOYSA-N
XLogP2.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 52.01
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

5-bromo-2-(4-bromo-2-methylphenoxy)aniline
CID 63457786
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
4-bromo-1-(2-bromoethoxy)-2-methylbenzene
CID 63216698
2-(4-bromo-2-methylphenoxy)acetamide
CID 803456
O-(4-bromo-2,5-dimethylphenyl)hydroxylamine
CID 117273115
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline
CID 63216601
5-bromo-2-[(4-bromo-2-methylphenoxy)methyl]aniline
CID 114380845
2-(4-bromo-2-methylphenoxy)propanethioamide
CID 63216923
O-(4-bromo-2-methylphenyl) N,N-dimethylcarbamothioate
CID 59715418
azane;4-bromo-2-methylaniline
CID 175038668
(1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine
CID 63533796

Frequently Asked Questions

What is the IUPAC name of O-(4-bromo-2-methylphenyl)hydroxylamine?
The IUPAC name of O-(4-bromo-2-methylphenyl)hydroxylamine (CID 130500330) is O-(4-bromo-2-methylphenyl)hydroxylamine.
What is the SMILES notation for O-(4-bromo-2-methylphenyl)hydroxylamine?
The canonical SMILES for O-(4-bromo-2-methylphenyl)hydroxylamine is Cc1cc(Br)ccc1ON.
What is the InChIKey of O-(4-bromo-2-methylphenyl)hydroxylamine?
The InChIKey is UNBGSZCKQNILKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5-4-6(8)2-3-7(5)10-9/h2-4H,9H2,1H3.
What are the key properties of O-(4-bromo-2-methylphenyl)hydroxylamine?
O-(4-bromo-2-methylphenyl)hydroxylamine has a molecular weight of 202.05 g/mol, XLogP of 2.01, 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-methylphenyl)hydroxylamine is sourced from PubChem (CID 130500330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).