O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine

C11H16FNO2 — CID 117304123

IUPACO-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine
SMILESCCc1c(F)cc(CCON)cc1OC
InChIInChI=1S/C11H16FNO2/c1-3-9-10(12)6-8(4-5-15-13)7-11(9)14-2/h6-7H,3-5,13H2,1-2H3
InChIKeyWRKUMTIKHMFPAH-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.83
Rot. Bonds5

About O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine

O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine (PubChem CID 117304123) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine
PubChem CID117304123
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC NameO-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine
SMILESCCc1c(F)cc(CCON)cc1OC
InChIInChI=1S/C11H16FNO2/c1-3-9-10(12)6-8(4-5-15-13)7-11(9)14-2/h6-7H,3-5,13H2,1-2H3
InChIKeyWRKUMTIKHMFPAH-UHFFFAOYSA-N
XLogP1.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-diethyl-1-fluoro-3-methoxybenzene
CID 175600199
O-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288478
3-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303122
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine
CID 117291281
O-[2-(4-fluoro-3-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288456
O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476
4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol
CID 117380355
5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol
CID 117280609
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455
1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117320267

Frequently Asked Questions

What is the IUPAC name of O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine (CID 117304123) is O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine is CCc1c(F)cc(CCON)cc1OC.
What is the InChIKey of O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine?
The InChIKey is WRKUMTIKHMFPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-3-9-10(12)6-8(4-5-15-13)7-11(9)14-2/h6-7H,3-5,13H2,1-2H3.
What are the key properties of O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine?
O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine has a molecular weight of 213.25 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117304123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).