N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine

C9H11BrFNO2 — CID 84807297

IUPACN-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1ccc(F)c(CN(C)O)c1Br
InChIInChI=1S/C9H11BrFNO2/c1-12(13)5-6-7(11)3-4-8(14-2)9(6)10/h3-4,13H,5H2,1-2H3
InChIKeyRNNXOMCLPPUROX-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.42
Rot. Bonds3

About N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine

N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine (PubChem CID 84807297) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine
PubChem CID84807297
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC NameN-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1ccc(F)c(CN(C)O)c1Br
InChIInChI=1S/C9H11BrFNO2/c1-12(13)5-6-7(11)3-4-8(14-2)9(6)10/h3-4,13H,5H2,1-2H3
InChIKeyRNNXOMCLPPUROX-UHFFFAOYSA-N
XLogP2.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine
CID 84806414
3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776097
N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84806406
2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776098
N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807291
2-bromo-3-ethyl-1,4-dimethoxybenzene
CID 84704847
1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol
CID 164894852
(2-bromo-6-fluoro-3-methoxyphenyl)-methylborinic acid
CID 123761758
methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171010904
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
2-bromo-4-fluoro-6-methoxybenzene-1,3-diol
CID 84699811

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine (CID 84807297) is N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine is COc1ccc(F)c(CN(C)O)c1Br.
What is the InChIKey of N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine?
The InChIKey is RNNXOMCLPPUROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-12(13)5-6-7(11)3-4-8(14-2)9(6)10/h3-4,13H,5H2,1-2H3.
What are the key properties of N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine?
N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine has a molecular weight of 264.09 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 84807297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).