4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride

C16H24ClN3O3 — CID 73011068

IUPAC4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride
SMILESCC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+]#N.[Cl-]
InChIInChI=1S/C16H24N3O3.ClH/c1-11(2)21-15-10-14(19-5-7-20-8-6-19)16(22-12(3)4)9-13(15)18-17;/h9-12H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyODLBYCTWMNDSKP-UHFFFAOYSA-M
MW341.84 g/mol
LogP0.59
Rot. Bonds5

About 4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride

4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride (PubChem CID 73011068) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride.

Molecular Properties

Compound Name4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride
PubChem CID73011068
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride
SMILESCC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+]#N.[Cl-]
InChIInChI=1S/C16H24N3O3.ClH/c1-11(2)21-15-10-14(19-5-7-20-8-6-19)16(22-12(3)4)9-13(15)18-17;/h9-12H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyODLBYCTWMNDSKP-UHFFFAOYSA-M
XLogP0.59
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(5-butan-2-yloxy-2-methoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 88818752
bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 139664478
2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate
CID 71382500
dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)
CID 157391269
5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride
CID 159987480
2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline
CID 154107073
zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride
CID 170853886
N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 84750548
2,5-diethoxy-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate
CID 21118152
2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate
CID 20841699
4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine
CID 156578126
3-(difluoromethoxy)-4-morpholin-4-ylaniline
CID 90104676

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride?
The IUPAC name of 4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride (CID 73011068) is 4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride.
What is the SMILES notation for 4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride?
The canonical SMILES for 4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride is CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+]#N.[Cl-].
What is the InChIKey of 4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride?
The InChIKey is ODLBYCTWMNDSKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H24N3O3.ClH/c1-11(2)21-15-10-14(19-5-7-20-8-6-19)16(22-12(3)4)9-13(15)18-17;/h9-12H,5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride?
4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride has a molecular weight of 341.84 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride is sourced from PubChem (CID 73011068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).