N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine

C22H35NO2 — CID 14895655

IUPACN,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine
SMILESCCN(CC)CCOC1(c2ccccc2)CC2CCC1(C)OC2(C)C
InChIInChI=1S/C22H35NO2/c1-6-23(7-2)15-16-24-22(18-11-9-8-10-12-18)17-19-13-14-21(22,5)25-20(19,3)4/h8-12,19H,6-7,13-17H2,1-5H3
InChIKeyTZYGEKURKLRWOH-UHFFFAOYSA-N
MW345.53 g/mol
LogP4.61
Rot. Bonds7

About N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine

N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine (PubChem CID 14895655) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine
PubChem CID14895655
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC NameN,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine
SMILESCCN(CC)CCOC1(c2ccccc2)CC2CCC1(C)OC2(C)C
InChIInChI=1S/C22H35NO2/c1-6-23(7-2)15-16-24-22(18-11-9-8-10-12-18)17-19-13-14-21(22,5)25-20(19,3)4/h8-12,19H,6-7,13-17H2,1-5H3
InChIKeyTZYGEKURKLRWOH-UHFFFAOYSA-N
XLogP4.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(2S,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methyl-trimethylazanium iodide
CID 46188793
(6-Cyclohexyl-6-phenyl-1,4-dioxan-2-yl)methyl-trimethylazanium iodide
CID 75167446
1-[(2S,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine
CID 156014269
[(2R,5R)-5-cyclohexyl-5-phenyl-1,4-dioxan-2-yl]methyl-trimethylazanium iodide
CID 156014204
1-[(2R,6R)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine
CID 156017826
[(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methyl-trimethylazanium iodide
CID 156020167
1-(6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl)-N,N-dimethylmethanamine
CID 156020548
[(2R,5S)-5-cyclohexyl-5-phenyl-1,4-dioxan-2-yl]methyl-trimethylazanium iodide
CID 156021190
[(2R,6R)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methyl-trimethylazanium
CID 156021441
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
9,10-Ethanoanthracene, 9,10-dihydro-9-(2-(dimethylamino)ethoxy)-, hydrochloride
CID 203931

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine (CID 14895655) is N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine is CCN(CC)CCOC1(c2ccccc2)CC2CCC1(C)OC2(C)C.
What is the InChIKey of N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine?
The InChIKey is TZYGEKURKLRWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2/c1-6-23(7-2)15-16-24-22(18-11-9-8-10-12-18)17-19-13-14-21(22,5)25-20(19,3)4/h8-12,19H,6-7,13-17H2,1-5H3.
What are the key properties of N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine?
N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine has a molecular weight of 345.53 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine is sourced from PubChem (CID 14895655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).