2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate

C12H16BF4N3O3 — CID 22290193

IUPAC2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate
SMILESCOc1cc(N2CCOCC2)cc(OC)c1[N+]#N.F[B-](F)(F)F
InChIInChI=1S/C12H16N3O3.BF4/c1-16-10-7-9(15-3-5-18-6-4-15)8-11(17-2)12(10)14-13;2-1(3,4)5/h7-8H,3-6H2,1-2H3;/q+1;-1
InChIKeyNSDLPUKBSTWDBJ-UHFFFAOYSA-N
MW337.08 g/mol
LogP3.32
Rot. Bonds3

About 2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate

2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate (PubChem CID 22290193) has the molecular formula C12H16BF4N3O3 and a molecular weight of 337.08 g/mol. Its IUPAC name is 2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate
PubChem CID22290193
Molecular FormulaC12H16BF4N3O3
Molecular Weight337.08 g/mol
Exact Mass337.12
IUPAC Name2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate
SMILESCOc1cc(N2CCOCC2)cc(OC)c1[N+]#N.F[B-](F)(F)F
InChIInChI=1S/C12H16N3O3.BF4/c1-16-10-7-9(15-3-5-18-6-4-15)8-11(17-2)12(10)14-13;2-1(3,4)5/h7-8H,3-6H2,1-2H3;/q+1;-1
InChIKeyNSDLPUKBSTWDBJ-UHFFFAOYSA-N
XLogP3.32
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.08
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868
5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride
CID 159987480
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
CID 174708451
azanylidyneazanium;4-phenylmorpholine;tetrafluoroborate
CID 88684350
bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 139664478
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine
CID 131890518
4-(6,7-dimethoxy-4-phenylnaphthalen-2-yl)morpholine
CID 3376794
2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate
CID 20841699
3-methoxy-5-(1,4-oxazepan-4-yl)aniline
CID 80735841
hexafluoroarsenic(1-);4-morpholin-4-ylbenzenediazonium
CID 20529308
bis((2-methoxy-4-morpholin-4-ylphenyl)diazene);chloride
CID 123629300
2-amino-1-(2-methoxy-5-morpholin-4-ylphenyl)ethanol
CID 117384184

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate?
The IUPAC name of 2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate (CID 22290193) is 2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate.
What is the SMILES notation for 2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate?
The canonical SMILES for 2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate is COc1cc(N2CCOCC2)cc(OC)c1[N+]#N.F[B-](F)(F)F.
What is the InChIKey of 2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate?
The InChIKey is NSDLPUKBSTWDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N3O3.BF4/c1-16-10-7-9(15-3-5-18-6-4-15)8-11(17-2)12(10)14-13;2-1(3,4)5/h7-8H,3-6H2,1-2H3;/q+1;-1.
What are the key properties of 2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate?
2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate has a molecular weight of 337.08 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate is sourced from PubChem (CID 22290193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).