N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine

C9H12FNO3 — CID 84776126

IUPACN-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
SMILESCOc1ccc(CNO)c(OC)c1F
InChIInChI=1S/C9H12FNO3/c1-13-7-4-3-6(5-11-12)9(14-2)8(7)10/h3-4,11-12H,5H2,1-2H3
InChIKeyURJGKRAGTDWKFP-UHFFFAOYSA-N
MW201.20 g/mol
LogP1.32
Rot. Bonds4

About N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine

N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine (PubChem CID 84776126) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
PubChem CID84776126
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC NameN-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
SMILESCOc1ccc(CNO)c(OC)c1F
InChIInChI=1S/C9H12FNO3/c1-13-7-4-3-6(5-11-12)9(14-2)8(7)10/h3-4,11-12H,5H2,1-2H3
InChIKeyURJGKRAGTDWKFP-UHFFFAOYSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine
CID 117281308
N-[(2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84769642
N-[(8-methoxyquinolin-5-yl)methyl]hydroxylamine
CID 117292523
N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 84791445
N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 143635325
N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 117280060
1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369
1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
CID 117305462
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
CID 117288363

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine (CID 84776126) is N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine is COc1ccc(CNO)c(OC)c1F.
What is the InChIKey of N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine?
The InChIKey is URJGKRAGTDWKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-13-7-4-3-6(5-11-12)9(14-2)8(7)10/h3-4,11-12H,5H2,1-2H3.
What are the key properties of N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine?
N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine has a molecular weight of 201.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 84776126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).