5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide

C14H20BrN3O — CID 114892979

IUPAC5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N1CC(C)OC(C)(C)C1
InChIInChI=1S/C14H20BrN3O/c1-9-7-18(8-14(2,3)19-9)12-5-4-10(15)6-11(12)13(16)17/h4-6,9H,7-8H2,1-3H3,(H3,16,17)
InChIKeyMDMMBQXWVAHMLT-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.74
Rot. Bonds2

About 5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide

5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide (PubChem CID 114892979) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide
PubChem CID114892979
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N1CC(C)OC(C)(C)C1
InChIInChI=1S/C14H20BrN3O/c1-9-7-18(8-14(2,3)19-9)12-5-4-10(15)6-11(12)13(16)17/h4-6,9H,7-8H2,1-3H3,(H3,16,17)
InChIKeyMDMMBQXWVAHMLT-UHFFFAOYSA-N
XLogP2.74
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 114904376
5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 114777109
1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
CID 82970938
6-methyl-2-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboximidamide
CID 107550371
5-bromo-2-(4,4-diethylpiperidin-1-yl)benzenecarboximidamide
CID 114893031
2-(8-azaspiro[4.5]decan-8-yl)-5-bromobenzenecarboximidamide
CID 114893032
3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide
CID 82798646
1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine
CID 63817747
5-chloro-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493250
5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)benzenecarboximidamide
CID 114893045
5-methyl-2-(2,2,6-trimethylmorpholin-4-yl)benzoic acid
CID 55082932
5-bromo-2-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 114892852

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide?
The IUPAC name of 5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide (CID 114892979) is 5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1N1CC(C)OC(C)(C)C1.
What is the InChIKey of 5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide?
The InChIKey is MDMMBQXWVAHMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-9-7-18(8-14(2,3)19-9)12-5-4-10(15)6-11(12)13(16)17/h4-6,9H,7-8H2,1-3H3,(H3,16,17).
What are the key properties of 5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide?
5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide has a molecular weight of 326.24 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide is sourced from PubChem (CID 114892979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).