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

C22H33NO2 — CID 14895659

IUPAC1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine
SMILESCC1(C)OC2(C)CCC1CC2(OCCN1CCCC1)c1ccccc1
InChIInChI=1S/C22H33NO2/c1-20(2)19-11-12-21(3,25-20)22(17-19,18-9-5-4-6-10-18)24-16-15-23-13-7-8-14-23/h4-6,9-10,19H,7-8,11-17H2,1-3H3
InChIKeyNZOXCCUHATWQKE-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.36
Rot. Bonds5

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

1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine (PubChem CID 14895659) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine
PubChem CID14895659
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine
SMILESCC1(C)OC2(C)CCC1CC2(OCCN1CCCC1)c1ccccc1
InChIInChI=1S/C22H33NO2/c1-20(2)19-11-12-21(3,25-20)22(17-19,18-9-5-4-6-10-18)24-16-15-23-13-7-8-14-23/h4-6,9-10,19H,7-8,11-17H2,1-3H3
InChIKeyNZOXCCUHATWQKE-UHFFFAOYSA-N
XLogP4.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

9,10-Ethanoanthracene, 9,10-dihydro-9-(2-pyrrolidinylethoxy)-, hydrochloride
CID 202271
Pyrrolidine, 1-(2-(2-methyl-9,10-ethanoanthracen-9(10H)-yloxy)ethyl)-, hydrochloride
CID 205014
1-[2-[(1R,5S)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine
CID 3246354
Pyrrolidine, 1-(2-(1,2,3,4,4a,9a-hexahydro-9,10-ethanoanthracen-9(10H)-yloxy)ethyl)-, hydrochloride
CID 205836
1-(2-((3,3,5-Trimethyl-1-phenylcyclohexyl)oxy)ethyl)piperidine
CID 417879
1-[2-(1-Tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]pyrrolidine
CID 202272
1-[2-[(4-Methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)oxy]ethyl]pyrrolidine
CID 205015
1-Oxido-1-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]pyrrolidin-1-ium
CID 205013
1-[2-(1-Tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethyl]pyrrolidine
CID 205837
N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine
CID 14895655
N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine
CID 14895657
1-[2-[(1,3,3-Trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine
CID 14895661

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine (CID 14895659) is 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine is CC1(C)OC2(C)CCC1CC2(OCCN1CCCC1)c1ccccc1.
What is the InChIKey of 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine?
The InChIKey is NZOXCCUHATWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-20(2)19-11-12-21(3,25-20)22(17-19,18-9-5-4-6-10-18)24-16-15-23-13-7-8-14-23/h4-6,9-10,19H,7-8,11-17H2,1-3H3.
What are the key properties of 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine?
1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine has a molecular weight of 343.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine is sourced from PubChem (CID 14895659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).