O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine

C9H10BrNO3 — CID 117403795

IUPACO-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
SMILESNOCCc1cc2c(cc1Br)OCO2
InChIInChI=1S/C9H10BrNO3/c10-7-4-9-8(12-5-13-9)3-6(7)1-2-14-11/h3-4H,1-2,5,11H2
InChIKeyJHFQEQUCKBDPOI-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.61
Rot. Bonds3

About O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine

O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine (PubChem CID 117403795) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
PubChem CID117403795
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC NameO-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
SMILESNOCCc1cc2c(cc1Br)OCO2
InChIInChI=1S/C9H10BrNO3/c10-7-4-9-8(12-5-13-9)3-6(7)1-2-14-11/h3-4H,1-2,5,11H2
InChIKeyJHFQEQUCKBDPOI-UHFFFAOYSA-N
XLogP1.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.61
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-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117437374
2-(6-bromo-1,3-benzodioxol-5-yl)ethoxy-tri(propan-2-yl)silane
CID 11989001
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 82050877
(6-bromo-1,3-benzodioxol-5-yl)methylhydrazine
CID 16772287
O-[2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethyl]hydroxylamine
CID 117411889
O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117464906
O-[2-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethyl]hydroxylamine
CID 117391049
3-(6-bromo-1,3-benzodioxol-5-yl)-N,N-dimethylpropanamide
CID 121002967
O-[2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117464905
O-[2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117319860
1-(6-bromo-1,3-benzodioxol-5-yl)-N-methoxymethanamine
CID 115279443
O-[2-[7-(1-fluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]ethyl]hydroxylamine
CID 117391048

Frequently Asked Questions

What is the IUPAC name of O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine (CID 117403795) is O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine is NOCCc1cc2c(cc1Br)OCO2.
What is the InChIKey of O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine?
The InChIKey is JHFQEQUCKBDPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c10-7-4-9-8(12-5-13-9)3-6(7)1-2-14-11/h3-4H,1-2,5,11H2.
What are the key properties of O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine?
O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine has a molecular weight of 260.09 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117403795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).