N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine

C12H16BrNO2 — CID 117461140

IUPACN-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
SMILESONCc1cc(Br)ccc1OCC1CCC1
InChIInChI=1S/C12H16BrNO2/c13-11-4-5-12(10(6-11)7-14-15)16-8-9-2-1-3-9/h4-6,9,14-15H,1-3,7-8H2
InChIKeyWSCYCBMIYUYSDG-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.11
Rot. Bonds5

About N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine

N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine (PubChem CID 117461140) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
PubChem CID117461140
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
SMILESONCc1cc(Br)ccc1OCC1CCC1
InChIInChI=1S/C12H16BrNO2/c13-11-4-5-12(10(6-11)7-14-15)16-8-9-2-1-3-9/h4-6,9,14-15H,1-3,7-8H2
InChIKeyWSCYCBMIYUYSDG-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine
CID 61344976
4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene
CID 28981481
N-[[5-bromo-2-(oxan-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058191
2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 60906211
3-[5-bromo-2-(cyclopropylmethoxy)phenyl]propanal
CID 117454997
1-[5-bromo-2-(cyclobutylmethoxy)phenyl]-2-(methylamino)ethanol
CID 117499840
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 82686505
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
CID 86321965
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-cyclopentylmethanamine
CID 43432520
N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]cyclobutanamine
CID 62415523
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine (CID 117461140) is N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine is ONCc1cc(Br)ccc1OCC1CCC1.
What is the InChIKey of N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine?
The InChIKey is WSCYCBMIYUYSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-11-4-5-12(10(6-11)7-14-15)16-8-9-2-1-3-9/h4-6,9,14-15H,1-3,7-8H2.
What are the key properties of N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine?
N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine has a molecular weight of 286.17 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117461140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).