[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane

C16H25NOSn — CID 21072606

IUPAC[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane
SMILESC[Sn](C)(C)c1ccc(OC2CN3CCC2CC3)cc1
InChIInChI=1S/C13H16NO.3CH3.Sn/c1-2-4-12(5-3-1)15-13-10-14-8-6-11(13)7-9-14;;;;/h2-5,11,13H,6-10H2;3*1H3;
InChIKeyVYFFJBWCHLBKRQ-UHFFFAOYSA-N
MW366.09 g/mol
LogP2.70
Rot. Bonds3

About [4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane

[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane (PubChem CID 21072606) has the molecular formula C16H25NOSn and a molecular weight of 366.09 g/mol. Its IUPAC name is [4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane.

Molecular Properties

Compound Name[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane
PubChem CID21072606
Molecular FormulaC16H25NOSn
Molecular Weight366.09 g/mol
Exact Mass367.10
IUPAC Name[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane
SMILESC[Sn](C)(C)c1ccc(OC2CN3CCC2CC3)cc1
InChIInChI=1S/C13H16NO.3CH3.Sn/c1-2-4-12(5-3-1)15-13-10-14-8-6-11(13)7-9-14;;;;/h2-5,11,13H,6-10H2;3*1H3;
InChIKeyVYFFJBWCHLBKRQ-UHFFFAOYSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.09
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-(4-methylphenoxy)-1-azabicyclo[2.2.2]octane
CID 143919466
4-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]phenyl]aniline
CID 11437857
(3R)-3-[4-(4-iodophenyl)phenoxy]-1-azabicyclo[2.2.2]octane
CID 129388136
4-(1-azabicyclo[2.2.2]octan-3-yloxy)benzoic acid
CID 117053480
4-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]phenyl]-N,N-dimethylaniline
CID 11359174
3-[4-[(E)-2-phenylethenyl]phenoxy]-1-azabicyclo[2.2.2]octane;hydrochloride
CID 18986077
4-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-methoxy-N-methylaniline
CID 130370318
(3S)-3-(2,6-dimethylphenoxy)-1-azabicyclo[2.2.2]octane
CID 100974214
2-(1-azabicyclo[2.2.2]octan-3-yloxy)benzenethiol
CID 91565469
3-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-1H-indole
CID 11255616
3-[[6-(2-chloro-4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane
CID 68809585
(3R)-3-[(6-naphthalen-2-yl-3-pyridinyl)oxy]-1-azabicyclo[2.2.2]octane
CID 68809563

Frequently Asked Questions

What is the IUPAC name of [4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane?
The IUPAC name of [4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane (CID 21072606) is [4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane.
What is the SMILES notation for [4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane?
The canonical SMILES for [4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane is C[Sn](C)(C)c1ccc(OC2CN3CCC2CC3)cc1.
What is the InChIKey of [4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane?
The InChIKey is VYFFJBWCHLBKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16NO.3CH3.Sn/c1-2-4-12(5-3-1)15-13-10-14-8-6-11(13)7-9-14;;;;/h2-5,11,13H,6-10H2;3*1H3;.
What are the key properties of [4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane?
[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane has a molecular weight of 366.09 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-trimethylstannane is sourced from PubChem (CID 21072606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).