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

C23H37NO2 — CID 14895668

IUPAC2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOC1(Cc2ccccc2)CC2CCC1(C)OC2(C)C
InChIInChI=1S/C23H37NO2/c1-6-24(7-2)15-16-25-23(17-19-11-9-8-10-12-19)18-20-13-14-22(23,5)26-21(20,3)4/h8-12,20H,6-7,13-18H2,1-5H3
InChIKeyYCULOKDJBFIKLI-UHFFFAOYSA-N
MW359.55 g/mol
LogP4.69
Rot. Bonds8

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

2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-diethylethanamine (PubChem CID 14895668) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-diethylethanamine
PubChem CID14895668
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOC1(Cc2ccccc2)CC2CCC1(C)OC2(C)C
InChIInChI=1S/C23H37NO2/c1-6-24(7-2)15-16-25-23(17-19-11-9-8-10-12-19)18-20-13-14-22(23,5)26-21(20,3)4/h8-12,20H,6-7,13-18H2,1-5H3
InChIKeyYCULOKDJBFIKLI-UHFFFAOYSA-N
XLogP4.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-dimethylethanamine
CID 14895667
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
1-[2-[(6-Benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine
CID 14895670

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-diethylethanamine?
The IUPAC name of 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-diethylethanamine (CID 14895668) is 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-diethylethanamine is CCN(CC)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-diethylethanamine?
The InChIKey is YCULOKDJBFIKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO2/c1-6-24(7-2)15-16-25-23(17-19-11-9-8-10-12-19)18-20-13-14-22(23,5)26-21(20,3)4/h8-12,20H,6-7,13-18H2,1-5H3.
What are the key properties of 2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-diethylethanamine?
2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-diethylethanamine has a molecular weight of 359.55 g/mol, XLogP of 4.69, 8 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-diethylethanamine is sourced from PubChem (CID 14895668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).