O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine

C12H16BrNO2 — CID 117461132

IUPACO-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(OCC2CCC2)c(Br)c1
InChIInChI=1S/C12H16BrNO2/c13-11-6-10(8-16-14)4-5-12(11)15-7-9-2-1-3-9/h4-6,9H,1-3,7-8,14H2
InChIKeyWGRCRDIITVHKBV-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.02
Rot. Bonds5

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

O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine (PubChem CID 117461132) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
PubChem CID117461132
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameO-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(OCC2CCC2)c(Br)c1
InChIInChI=1S/C12H16BrNO2/c13-11-6-10(8-16-14)4-5-12(11)15-7-9-2-1-3-9/h4-6,9H,1-3,7-8,14H2
InChIKeyWGRCRDIITVHKBV-UHFFFAOYSA-N
XLogP3.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526
O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117327701
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene
CID 139341709
ethyl 3-[3-bromo-4-(cyclopentylmethoxy)phenyl]propanoate
CID 22559143
[3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol
CID 107738957
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460986
2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117495069
1-[3-bromo-4-(cyclopentylmethoxy)phenyl]ethanone
CID 66322201
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362

Frequently Asked Questions

What is the IUPAC name of O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine (CID 117461132) is O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine is NOCc1ccc(OCC2CCC2)c(Br)c1.
What is the InChIKey of O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine?
The InChIKey is WGRCRDIITVHKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-11-6-10(8-16-14)4-5-12(11)15-7-9-2-1-3-9/h4-6,9H,1-3,7-8,14H2.
What are the key properties of O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine?
O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine has a molecular weight of 286.17 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117461132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).