O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine

C11H14BrNO3 — CID 117464906

IUPACO-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
SMILESCCc1c(CCON)cc(Br)c2c1OCO2
InChIInChI=1S/C11H14BrNO3/c1-2-8-7(3-4-16-13)5-9(12)11-10(8)14-6-15-11/h5H,2-4,6,13H2,1H3
InChIKeyGONFNHMWZAWQEO-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.17
Rot. Bonds4

About O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine

O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine (PubChem CID 117464906) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
PubChem CID117464906
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC NameO-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
SMILESCCc1c(CCON)cc(Br)c2c1OCO2
InChIInChI=1S/C11H14BrNO3/c1-2-8-7(3-4-16-13)5-9(12)11-10(8)14-6-15-11/h5H,2-4,6,13H2,1H3
InChIKeyGONFNHMWZAWQEO-UHFFFAOYSA-N
XLogP2.17
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.17
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-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117464905
(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol
CID 84709698
1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine
CID 117483586
1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine
CID 84713190
O-[2-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117437374
2-(9-bromo-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 117484958
O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117403795
O-[2-(7-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydroxylamine
CID 117464904
O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine
CID 117326465
O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
CID 117285083
O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117403658
O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117319860

Frequently Asked Questions

What is the IUPAC name of O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine (CID 117464906) is O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine is CCc1c(CCON)cc(Br)c2c1OCO2.
What is the InChIKey of O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine?
The InChIKey is GONFNHMWZAWQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-2-8-7(3-4-16-13)5-9(12)11-10(8)14-6-15-11/h5H,2-4,6,13H2,1H3.
What are the key properties of O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine?
O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine has a molecular weight of 288.14 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117464906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).