N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine

C10H14FNO3 — CID 117306502

IUPACN-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
SMILESCOCc1cc(CNO)c(F)cc1OC
InChIInChI=1S/C10H14FNO3/c1-14-6-8-3-7(5-12-13)9(11)4-10(8)15-2/h3-4,12-13H,5-6H2,1-2H3
InChIKeyJLMCKODOWNCEPZ-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.46
Rot. Bonds5

About N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine

N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine (PubChem CID 117306502) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
PubChem CID117306502
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC NameN-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
SMILESCOCc1cc(CNO)c(F)cc1OC
InChIInChI=1S/C10H14FNO3/c1-14-6-8-3-7(5-12-13)9(11)4-10(8)15-2/h3-4,12-13H,5-6H2,1-2H3
InChIKeyJLMCKODOWNCEPZ-UHFFFAOYSA-N
XLogP1.46
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.46
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

2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117328325
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 117330301
2-amino-3-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117395987
2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile
CID 117284978
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
CID 117353062
N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 84791445
N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
CID 117288363
1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 84671954
N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 117280060

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine (CID 117306502) is N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine is COCc1cc(CNO)c(F)cc1OC.
What is the InChIKey of N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine?
The InChIKey is JLMCKODOWNCEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-14-6-8-3-7(5-12-13)9(11)4-10(8)15-2/h3-4,12-13H,5-6H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine?
N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine has a molecular weight of 215.22 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117306502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).