O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine

C10H13BrFNO2 — CID 117445533

IUPACO-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine
SMILESCOc1c(C)cc(F)c(Br)c1CCON
InChIInChI=1S/C10H13BrFNO2/c1-6-5-8(12)9(11)7(3-4-15-13)10(6)14-2/h5H,3-4,13H2,1-2H3
InChIKeyKZBXRZUUMLBZTR-UHFFFAOYSA-N
MW278.12 g/mol
LogP2.34
Rot. Bonds4

About O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine

O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine (PubChem CID 117445533) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine
PubChem CID117445533
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC NameO-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine
SMILESCOc1c(C)cc(F)c(Br)c1CCON
InChIInChI=1S/C10H13BrFNO2/c1-6-5-8(12)9(11)7(3-4-15-13)10(6)14-2/h5H,3-4,13H2,1-2H3
InChIKeyKZBXRZUUMLBZTR-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 52.34
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

N-[(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117414317
3-(2-aminooxyethyl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117449311
O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117330365
4-(2-bromo-6-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 117461392
4-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491322
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine
CID 117310349
2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol
CID 117441755
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
CID 117335463
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine
CID 117291281

Frequently Asked Questions

What is the IUPAC name of O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine (CID 117445533) is O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine is COc1c(C)cc(F)c(Br)c1CCON.
What is the InChIKey of O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine?
The InChIKey is KZBXRZUUMLBZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-6-5-8(12)9(11)7(3-4-15-13)10(6)14-2/h5H,3-4,13H2,1-2H3.
What are the key properties of O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine?
O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine has a molecular weight of 278.12 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117445533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).