9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane

C24H31NO — CID 24833907

IUPAC9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane
SMILESCCOC1(c2ccccc2)C2CCCC1CN(CCc1ccccc1)C2
InChIInChI=1S/C24H31NO/c1-2-26-24(21-12-7-4-8-13-21)22-14-9-15-23(24)19-25(18-22)17-16-20-10-5-3-6-11-20/h3-8,10-13,22-23H,2,9,14-19H2,1H3
InChIKeyUCTZJLYUGFYJQT-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.89
Rot. Bonds6

About 9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane

9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane (PubChem CID 24833907) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane
PubChem CID24833907
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane
SMILESCCOC1(c2ccccc2)C2CCCC1CN(CCc1ccccc1)C2
InChIInChI=1S/C24H31NO/c1-2-26-24(21-12-7-4-8-13-21)22-14-9-15-23(24)19-25(18-22)17-16-20-10-5-3-6-11-20/h3-8,10-13,22-23H,2,9,14-19H2,1H3
InChIKeyUCTZJLYUGFYJQT-UHFFFAOYSA-N
XLogP4.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol
CID 170906272
carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium
CID 159349372
(1R,5S)-9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane
CID 3037099
(1S,5S)-9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane
CID 90677991
4-(3-benzyl-9-ethoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-indazole
CID 155782550
3-[3-(cyclopropylmethyl)-9-ethoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide;hydrochloride
CID 153419725
4-(3-benzyl-9-ethoxy-3-azabicyclo[3.3.1]nonan-9-yl)-6-fluoro-2H-benzotriazole
CID 155782565
3-[2-(2-phenylethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]phenol
CID 13281987
3-[2-(2-phenylethyl)-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-4a-yl]phenol;hydrobromide
CID 173433934
(6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
CID 59910919
(3aS,6aR)-2-methyl-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534999
1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride
CID 24833947

Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane (CID 24833907) is 9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane is CCOC1(c2ccccc2)C2CCCC1CN(CCc1ccccc1)C2.
What is the InChIKey of 9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane?
The InChIKey is UCTZJLYUGFYJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-2-26-24(21-12-7-4-8-13-21)22-14-9-15-23(24)19-25(18-22)17-16-20-10-5-3-6-11-20/h3-8,10-13,22-23H,2,9,14-19H2,1H3.
What are the key properties of 9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane?
9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane has a molecular weight of 349.52 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 24833907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).