3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide

C14H20BrN3O2 — CID 82798646

IUPAC3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide
SMILESCC1CN(c2ccc(/C(N)=N/O)cc2Br)CC(C)(C)O1
InChIInChI=1S/C14H20BrN3O2/c1-9-7-18(8-14(2,3)20-9)12-5-4-10(6-11(12)15)13(16)17-19/h4-6,9,19H,7-8H2,1-3H3,(H2,16,17)
InChIKeyYKNPJCXODBAGTL-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.55
Rot. Bonds2

About 3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide

3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide (PubChem CID 82798646) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide
PubChem CID82798646
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide
SMILESCC1CN(c2ccc(/C(N)=N/O)cc2Br)CC(C)(C)O1
InChIInChI=1S/C14H20BrN3O2/c1-9-7-18(8-14(2,3)20-9)12-5-4-10(6-11(12)15)13(16)17-19/h4-6,9,19H,7-8H2,1-3H3,(H2,16,17)
InChIKeyYKNPJCXODBAGTL-UHFFFAOYSA-N
XLogP2.55
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-(2,6-dimethylmorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 82799275
N'-hydroxy-6-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carboximidamide
CID 76929782
3-bromo-4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 82799910
N'-hydroxy-2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carboximidamide
CID 81038142
N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide
CID 136990599
3-chloro-N'-hydroxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 102666906
3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 82799389
3-bromo-N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)benzenecarboximidamide
CID 107404742
5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide
CID 114892979
3-bromo-4-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799600
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-bromo-N'-hydroxybenzenecarboximidamide
CID 82787021
3-bromo-4-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 82799919

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide?
The IUPAC name of 3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide (CID 82798646) is 3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide.
What is the SMILES notation for 3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide?
The canonical SMILES for 3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide is CC1CN(c2ccc(/C(N)=N/O)cc2Br)CC(C)(C)O1.
What is the InChIKey of 3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide?
The InChIKey is YKNPJCXODBAGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-9-7-18(8-14(2,3)20-9)12-5-4-10(6-11(12)15)13(16)17-19/h4-6,9,19H,7-8H2,1-3H3,(H2,16,17).
What are the key properties of 3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide?
3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide has a molecular weight of 342.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide is sourced from PubChem (CID 82798646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).