2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine

C21H33NO2 — CID 14895667

IUPAC2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC1(Cc2ccccc2)CC2CCC1(C)OC2(C)C
InChIInChI=1S/C21H33NO2/c1-19(2)18-11-12-20(3,24-19)21(16-18,23-14-13-22(4)5)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3
InChIKeyXTRMBRRCOMYXDQ-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.91
Rot. Bonds6

About 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine

2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine (PubChem CID 14895667) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine
PubChem CID14895667
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC1(Cc2ccccc2)CC2CCC1(C)OC2(C)C
InChIInChI=1S/C21H33NO2/c1-19(2)18-11-12-20(3,24-19)21(16-18,23-14-13-22(4)5)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3
InChIKeyXTRMBRRCOMYXDQ-UHFFFAOYSA-N
XLogP3.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-((4-(tert-Butyl)-1-(4-methylbenzyl)cyclohexyl)oxy)-N,N-dimethylethanamine
CID 382586
2-(1-benzyl-4-propan-2-ylcyclohexyl)oxy-N,N-dimethylethanamine
CID 21025440
4-[2-(1-Benzyl-4-propan-2-ylcyclohexyl)oxyethyl]morpholine
CID 21025514
4-[2-(1-Benzyl-4-methylcyclohexyl)oxyethyl]morpholine
CID 71050920
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]pyrrolidine
CID 14895659
1-[2-[(1,3,3-Trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine
CID 14895661
4-[2-[(1,3,3-Trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine
CID 14895663
N,N-diethyl-3-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]propan-1-amine
CID 14895665
2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-diethylethanamine
CID 14895668
N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 14895669

Frequently Asked Questions

What is the IUPAC name of 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine (CID 14895667) is 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine is CN(C)CCOC1(Cc2ccccc2)CC2CCC1(C)OC2(C)C.
What is the InChIKey of 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine?
The InChIKey is XTRMBRRCOMYXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-19(2)18-11-12-20(3,24-19)21(16-18,23-14-13-22(4)5)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3.
What are the key properties of 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine?
2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine has a molecular weight of 331.50 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 14895667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).