O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine

C11H16FNO3 — CID 117330362

IUPACO-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
SMILESCOCc1c(F)ccc(CCON)c1OC
InChIInChI=1S/C11H16FNO3/c1-14-7-9-10(12)4-3-8(5-6-16-13)11(9)15-2/h3-4H,5-7,13H2,1-2H3
InChIKeyIIVOLRNVKWGKAL-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.41
Rot. Bonds6

About O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine

O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine (PubChem CID 117330362) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
PubChem CID117330362
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC NameO-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
SMILESCOCc1c(F)ccc(CCON)c1OC
InChIInChI=1S/C11H16FNO3/c1-14-7-9-10(12)4-3-8(5-6-16-13)11(9)15-2/h3-4H,5-7,13H2,1-2H3
InChIKeyIIVOLRNVKWGKAL-UHFFFAOYSA-N
XLogP1.41
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355227
O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355228
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355422
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
1-bromo-4-fluoro-2-methoxy-3-(methoxymethyl)benzene
CID 166159524
O-[2-[3-fluoro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117288473
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine
CID 117424714
O-[2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355268
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304504

Frequently Asked Questions

What is the IUPAC name of O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine (CID 117330362) is O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine is COCc1c(F)ccc(CCON)c1OC.
What is the InChIKey of O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine?
The InChIKey is IIVOLRNVKWGKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-14-7-9-10(12)4-3-8(5-6-16-13)11(9)15-2/h3-4H,5-7,13H2,1-2H3.
What are the key properties of O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine?
O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine has a molecular weight of 229.25 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117330362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).