3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol

C23H29NO2 — CID 170906272

IUPAC3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol
SMILESCOC1(c2cccc(O)c2)[C@@H]2CCC[C@@H]1CN(CCc1ccccc1)C2
InChIInChI=1S/C23H29NO2/c1-26-23(19-9-6-12-22(25)15-19)20-10-5-11-21(23)17-24(16-20)14-13-18-7-3-2-4-8-18/h2-4,6-9,12,15,20-21,25H,5,10-11,13-14,16-17H2,1H3/t20-,21-/m1/s1
InChIKeyUXFOUDJIDGKJDT-NHCUHLMSSA-N
MW351.49 g/mol
LogP4.21
Rot. Bonds5

About 3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol

3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol (PubChem CID 170906272) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol.

Molecular Properties

Compound Name3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol
PubChem CID170906272
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol
SMILESCOC1(c2cccc(O)c2)[C@@H]2CCC[C@@H]1CN(CCc1ccccc1)C2
InChIInChI=1S/C23H29NO2/c1-26-23(19-9-6-12-22(25)15-19)20-10-5-11-21(23)17-24(16-20)14-13-18-7-3-2-4-8-18/h2-4,6-9,12,15,20-21,25H,5,10-11,13-14,16-17H2,1H3/t20-,21-/m1/s1
InChIKeyUXFOUDJIDGKJDT-NHCUHLMSSA-N
XLogP4.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol with MolForge

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Related Compounds

9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane
CID 24833907
3-[3-[3-(1-hydroxycyclohexyl)propyl]-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]phenol
CID 11749130
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
3-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzonitrile
CID 139383318
1-[3-(9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl]ethanone
CID 157287182
(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
3-benzyl-8-(3-bromophenyl)-8-methoxy-3-azabicyclo[3.2.1]octane
CID 69428465
3-[(1S,5R)-9-methoxy-3-(2-methylsulfonylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]benzamide;hydrochloride
CID 139368226
9-(3-iodophenyl)-9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonane
CID 153419726
3-[(1S,5R)-9-methoxy-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 139367992

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol?
The IUPAC name of 3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol (CID 170906272) is 3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol.
What is the SMILES notation for 3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol?
The canonical SMILES for 3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol is COC1(c2cccc(O)c2)[C@@H]2CCC[C@@H]1CN(CCc1ccccc1)C2.
What is the InChIKey of 3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol?
The InChIKey is UXFOUDJIDGKJDT-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H29NO2/c1-26-23(19-9-6-12-22(25)15-19)20-10-5-11-21(23)17-24(16-20)14-13-18-7-3-2-4-8-18/h2-4,6-9,12,15,20-21,25H,5,10-11,13-14,16-17H2,1H3/t20-,21-/m1/s1.
What are the key properties of 3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol?
3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol has a molecular weight of 351.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol is sourced from PubChem (CID 170906272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).