O-[1-(3-bromophenyl)ethoxy]hydroxylamine

C8H10BrNO2 — CID 87621823

IUPACO-[1-(3-bromophenyl)ethoxy]hydroxylamine
SMILESCC(OON)c1cccc(Br)c1
InChIInChI=1S/C8H10BrNO2/c1-6(11-12-10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3
InChIKeyPZZZFONMUFFCAT-UHFFFAOYSA-N
MW232.08 g/mol
LogP2.33
Rot. Bonds3

About O-[1-(3-bromophenyl)ethoxy]hydroxylamine

O-[1-(3-bromophenyl)ethoxy]hydroxylamine (PubChem CID 87621823) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is O-[1-(3-bromophenyl)ethoxy]hydroxylamine.

Molecular Properties

Compound NameO-[1-(3-bromophenyl)ethoxy]hydroxylamine
PubChem CID87621823
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC NameO-[1-(3-bromophenyl)ethoxy]hydroxylamine
SMILESCC(OON)c1cccc(Br)c1
InChIInChI=1S/C8H10BrNO2/c1-6(11-12-10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3
InChIKeyPZZZFONMUFFCAT-UHFFFAOYSA-N
XLogP2.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)ethanamine;ethane
CID 142874111
amino-(3-bromophenyl)methanethiol
CID 116939544
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
3-[1-(3-bromophenoxy)ethyl]aniline
CID 61263689
1-(3-bromophenyl)ethyl benzoate
CID 141056018
4-(3-bromophenyl)pentan-2-amine
CID 83912731
1-bromo-3-[1-(1-phenylethoxy)propan-2-yl]benzene
CID 174259329
1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine
CID 116948153
1-bromo-3-[(2R)-but-3-en-2-yl]benzene
CID 42611824
2-(3-bromophenyl)propane-1-thiol
CID 115038075
2-amino-3-(3-bromophenyl)butan-1-ol
CID 83912819
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726

Frequently Asked Questions

What is the IUPAC name of O-[1-(3-bromophenyl)ethoxy]hydroxylamine?
The IUPAC name of O-[1-(3-bromophenyl)ethoxy]hydroxylamine (CID 87621823) is O-[1-(3-bromophenyl)ethoxy]hydroxylamine.
What is the SMILES notation for O-[1-(3-bromophenyl)ethoxy]hydroxylamine?
The canonical SMILES for O-[1-(3-bromophenyl)ethoxy]hydroxylamine is CC(OON)c1cccc(Br)c1.
What is the InChIKey of O-[1-(3-bromophenyl)ethoxy]hydroxylamine?
The InChIKey is PZZZFONMUFFCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-6(11-12-10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3.
What are the key properties of O-[1-(3-bromophenyl)ethoxy]hydroxylamine?
O-[1-(3-bromophenyl)ethoxy]hydroxylamine has a molecular weight of 232.08 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-(3-bromophenyl)ethoxy]hydroxylamine is sourced from PubChem (CID 87621823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).