O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine

C11H16FNO3 — CID 117330365

IUPACO-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine
SMILESCOc1c(C)cc(CCON)c(F)c1OC
InChIInChI=1S/C11H16FNO3/c1-7-6-8(4-5-16-13)9(12)11(15-3)10(7)14-2/h6H,4-5,13H2,1-3H3
InChIKeyUABUTUALUQBIAC-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.58
Rot. Bonds5

About O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine

O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine (PubChem CID 117330365) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine
PubChem CID117330365
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC NameO-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine
SMILESCOc1c(C)cc(CCON)c(F)c1OC
InChIInChI=1S/C11H16FNO3/c1-7-6-8(4-5-16-13)9(12)11(15-3)10(7)14-2/h6H,4-5,13H2,1-3H3
InChIKeyUABUTUALUQBIAC-UHFFFAOYSA-N
XLogP1.58
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.58
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-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
O-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 117279513
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-one
CID 117325240
5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol
CID 117313560
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117328885
O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117445533
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117304214
5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile
CID 117294814
O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117403967

Frequently Asked Questions

What is the IUPAC name of O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine (CID 117330365) is O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine is COc1c(C)cc(CCON)c(F)c1OC.
What is the InChIKey of O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine?
The InChIKey is UABUTUALUQBIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-7-6-8(4-5-16-13)9(12)11(15-3)10(7)14-2/h6H,4-5,13H2,1-3H3.
What are the key properties of O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine?
O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine has a molecular weight of 229.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117330365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).