O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine

C9H12BrNO — CID 130051996

IUPACO-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine
SMILESCCc1ccc(CON)cc1Br
InChIInChI=1S/C9H12BrNO/c1-2-8-4-3-7(6-12-11)5-9(8)10/h3-5H,2,6,11H2,1H3
InChIKeyBJSJNCJGTJOCSP-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.40
Rot. Bonds3

About O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine

O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine (PubChem CID 130051996) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine
PubChem CID130051996
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC NameO-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine
SMILESCCc1ccc(CON)cc1Br
InChIInChI=1S/C9H12BrNO/c1-2-8-4-3-7(6-12-11)5-9(8)10/h3-5H,2,6,11H2,1H3
InChIKeyBJSJNCJGTJOCSP-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine
CID 117339731
2-bromo-1-ethyl-4-propylbenzene
CID 67149961
ethyl 2-(3-bromo-4-ethylphenyl)acetate
CID 82643388
O-[(4-bromo-3-fluorophenyl)methyl]hydroxylamine
CID 117313669
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
1-[3-bromo-4-(ethoxymethyl)phenyl]propan-2-one
CID 83903584
3-(3-bromo-4-ethylphenyl)-2-methylpropane-1-thiol
CID 83921609
1-(3-bromo-4-ethylphenyl)heptan-4-amine
CID 83921620
4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene
CID 57139112
3-bromo-4-ethylbenzenethiol
CID 91873957
2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene
CID 83921681
O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine
CID 117284110

Frequently Asked Questions

What is the IUPAC name of O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine (CID 130051996) is O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine is CCc1ccc(CON)cc1Br.
What is the InChIKey of O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine?
The InChIKey is BJSJNCJGTJOCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-2-8-4-3-7(6-12-11)5-9(8)10/h3-5H,2,6,11H2,1H3.
What are the key properties of O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine?
O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine has a molecular weight of 230.10 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 130051996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).