N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine

C9H11BrFNO2 — CID 84807291

IUPACN-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1cc(F)c(CN(C)O)cc1Br
InChIInChI=1S/C9H11BrFNO2/c1-12(13)5-6-3-7(10)9(14-2)4-8(6)11/h3-4,13H,5H2,1-2H3
InChIKeyNQDGGDFUHCTCNJ-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.42
Rot. Bonds3

About N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine

N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine (PubChem CID 84807291) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine
PubChem CID84807291
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC NameN-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1cc(F)c(CN(C)O)cc1Br
InChIInChI=1S/C9H11BrFNO2/c1-12(13)5-6-3-7(10)9(14-2)4-8(6)11/h3-4,13H,5H2,1-2H3
InChIKeyNQDGGDFUHCTCNJ-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-(5-bromo-2-fluoro-4-methoxyphenyl)acetonitrile
CID 84802361
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819
N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84775248
3-(5-bromo-2-fluoro-4-methoxyphenyl)propanenitrile
CID 84805684
N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 115262117
N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807297
2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol
CID 84711161
1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351
[(2,5-difluoro-4-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228148
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide
CID 115175825
(2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide
CID 117043406

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine (CID 84807291) is N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine is COc1cc(F)c(CN(C)O)cc1Br.
What is the InChIKey of N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine?
The InChIKey is NQDGGDFUHCTCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-12(13)5-6-3-7(10)9(14-2)4-8(6)11/h3-4,13H,5H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine?
N-[(5-bromo-2-fluoro-4-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-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 84807291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).