O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine

C9H12BrNO — CID 117331835

IUPACO-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine
SMILESCc1ccc(Br)c(CON)c1C
InChIInChI=1S/C9H12BrNO/c1-6-3-4-9(10)8(5-12-11)7(6)2/h3-4H,5,11H2,1-2H3
InChIKeyAEIKIYZKJWHLMJ-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.46
Rot. Bonds2

About O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine

O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine (PubChem CID 117331835) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine
PubChem CID117331835
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC NameO-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine
SMILESCc1ccc(Br)c(CON)c1C
InChIInChI=1S/C9H12BrNO/c1-6-3-4-9(10)8(5-12-11)7(6)2/h3-4H,5,11H2,1-2H3
InChIKeyAEIKIYZKJWHLMJ-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine (CID 117331835) is O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine is Cc1ccc(Br)c(CON)c1C.
What is the InChIKey of O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine?
The InChIKey is AEIKIYZKJWHLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6-3-4-9(10)8(5-12-11)7(6)2/h3-4H,5,11H2,1-2H3.
What are the key properties of O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine?
O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine has a molecular weight of 230.10 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117331835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).