2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine

C22H23NO — CID 70290220

IUPAC2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine
SMILESC=C(c1ccc(C#Cc2ccccc2)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C22H23NO/c1-17-15-23(16-18(2)24-17)19(3)22-13-11-21(12-14-22)10-9-20-7-5-4-6-8-20/h4-8,11-14,17-18H,3,15-16H2,1-2H3
InChIKeyUHELTSHMFIYWFC-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.17
Rot. Bonds2

About 2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine

2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine (PubChem CID 70290220) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine
PubChem CID70290220
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine
SMILESC=C(c1ccc(C#Cc2ccccc2)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C22H23NO/c1-17-15-23(16-18(2)24-17)19(3)22-13-11-21(12-14-22)10-9-20-7-5-4-6-8-20/h4-8,11-14,17-18H,3,15-16H2,1-2H3
InChIKeyUHELTSHMFIYWFC-UHFFFAOYSA-N
XLogP4.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine (CID 70290220) is 2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine is C=C(c1ccc(C#Cc2ccccc2)cc1)N1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine?
The InChIKey is UHELTSHMFIYWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-17-15-23(16-18(2)24-17)19(3)22-13-11-21(12-14-22)10-9-20-7-5-4-6-8-20/h4-8,11-14,17-18H,3,15-16H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine?
2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine has a molecular weight of 317.43 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]morpholine is sourced from PubChem (CID 70290220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).