4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine

C22H33NO3 — CID 14895663

IUPAC4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine
SMILESCC1(C)OC2(C)CCC1CC2(OCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H33NO3/c1-20(2)19-9-10-21(3,26-20)22(17-19,18-7-5-4-6-8-18)25-16-13-23-11-14-24-15-12-23/h4-8,19H,9-17H2,1-3H3
InChIKeyDUAHYWPAJMLLBL-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.60
Rot. Bonds5

About 4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine

4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine (PubChem CID 14895663) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine
PubChem CID14895663
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Name4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine
SMILESCC1(C)OC2(C)CCC1CC2(OCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H33NO3/c1-20(2)19-9-10-21(3,26-20)22(17-19,18-7-5-4-6-8-18)25-16-13-23-11-14-24-15-12-23/h4-8,19H,9-17H2,1-3H3
InChIKeyDUAHYWPAJMLLBL-UHFFFAOYSA-N
XLogP3.60
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine with MolForge

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Related Compounds

9,10-Ethanoanthracene, 9,10-dihydro-9-(2-(diethylamino)ethoxy)-, hydrochloride
CID 203889
9,10-Ethanoanthracene, 9,10-dihydro-9-(2-morpholinoethoxy)-, hydrochloride
CID 203893
1-[2-[(1R,5S)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine
CID 3246354
1-(2-((3,3,5-Trimethyl-1-phenylcyclohexyl)oxy)ethyl)piperidine
CID 417879
N,N-diethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine
CID 203890
1-Methyl-4-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]piperazine
CID 203892
4-[2-(1-Tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]morpholine
CID 203894
N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine
CID 203932
Trimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]azanium
CID 27308
N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine
CID 28379
N,N-dimethyl-2-[(15-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethanamine
CID 58343
1-Methyl-1-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]piperidin-1-ium
CID 203930

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine (CID 14895663) is 4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine is CC1(C)OC2(C)CCC1CC2(OCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine?
The InChIKey is DUAHYWPAJMLLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3/c1-20(2)19-9-10-21(3,26-20)22(17-19,18-7-5-4-6-8-18)25-16-13-23-11-14-24-15-12-23/h4-8,19H,9-17H2,1-3H3.
What are the key properties of 4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine?
4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine has a molecular weight of 359.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine is sourced from PubChem (CID 14895663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).