O-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine

C11H14BrNO2 — CID 117432628

IUPACO-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine
SMILESC=C(C)COc1cccc(CON)c1Br
InChIInChI=1S/C11H14BrNO2/c1-8(2)6-14-10-5-3-4-9(7-15-13)11(10)12/h3-5H,1,6-7,13H2,2H3
InChIKeyKXVJGWZSQFFVAB-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.79
Rot. Bonds5

About O-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine

O-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine (PubChem CID 117432628) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is O-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine
PubChem CID117432628
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameO-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine
SMILESC=C(C)COc1cccc(CON)c1Br
InChIInChI=1S/C11H14BrNO2/c1-8(2)6-14-10-5-3-4-9(7-15-13)11(10)12/h3-5H,1,6-7,13H2,2H3
InChIKeyKXVJGWZSQFFVAB-UHFFFAOYSA-N
XLogP2.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]cyclopropan-1-amine
CID 117477336
1-[2-bromo-3-(2-methylprop-2-enoxy)phenyl]cyclopropan-1-amine
CID 84812289
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
3-amino-2-[2-bromo-3-(2-methylprop-2-enoxy)phenyl]propanoic acid
CID 117499236
2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine
CID 117294143
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene
CID 103988421
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849925
N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 117296323
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 54850060
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
CID 11131833
2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 114321489

Frequently Asked Questions

What is the IUPAC name of O-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine (CID 117432628) is O-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine is C=C(C)COc1cccc(CON)c1Br.
What is the InChIKey of O-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine?
The InChIKey is KXVJGWZSQFFVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8(2)6-14-10-5-3-4-9(7-15-13)11(10)12/h3-5H,1,6-7,13H2,2H3.
What are the key properties of O-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine?
O-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine has a molecular weight of 272.14 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-bromo-3-(2-methylprop-2-enoxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117432628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).