N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine

C9H11BrFNO2 — CID 84807331

IUPACN-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(Br)cc(C)c(F)c1CNO
InChIInChI=1S/C9H11BrFNO2/c1-5-3-7(10)9(14-2)6(4-12-13)8(5)11/h3,12-13H,4H2,1-2H3
InChIKeyKREAHKOJWXGBRF-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.38
Rot. Bonds3

About N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine

N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine (PubChem CID 84807331) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
PubChem CID84807331
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC NameN-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(Br)cc(C)c(F)c1CNO
InChIInChI=1S/C9H11BrFNO2/c1-5-3-7(10)9(14-2)6(4-12-13)8(5)11/h3,12-13H,4H2,1-2H3
InChIKeyKREAHKOJWXGBRF-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84787177
N-[(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117414317
N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 117449341
N-[(2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84769642
(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol
CID 84706876
4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol
CID 84807288
N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine
CID 117281310
N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 117280060
N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 84803061
2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
CID 117400973
3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol
CID 84711178
N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine
CID 84796697

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine (CID 84807331) is N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine is COc1c(Br)cc(C)c(F)c1CNO.
What is the InChIKey of N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine?
The InChIKey is KREAHKOJWXGBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-5-3-7(10)9(14-2)6(4-12-13)8(5)11/h3,12-13H,4H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine?
N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine has a molecular weight of 264.09 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 84807331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).