(1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol

C23H29NO2 — CID 16756733

IUPAC(1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol
SMILESCOc1cccc([C@]23CCC[C@H]([C@@H]2O)N(CCc2ccccc2)CC3)c1
InChIInChI=1S/C23H29NO2/c1-26-20-10-5-9-19(17-20)23-13-6-11-21(22(23)25)24(16-14-23)15-12-18-7-3-2-4-8-18/h2-5,7-10,17,21-22,25H,6,11-16H2,1H3/t21-,22+,23-/m1/s1
InChIKeyDCKOXWIXRIOQMV-XPWALMASSA-N
MW351.49 g/mol
LogP3.79
Rot. Bonds5

About (1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol

(1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 16756733) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol
PubChem CID16756733
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol
SMILESCOc1cccc([C@]23CCC[C@H]([C@@H]2O)N(CCc2ccccc2)CC3)c1
InChIInChI=1S/C23H29NO2/c1-26-20-10-5-9-19(17-20)23-13-6-11-21(22(23)25)24(16-14-23)15-12-18-7-3-2-4-8-18/h2-5,7-10,17,21-22,25H,6,11-16H2,1H3/t21-,22+,23-/m1/s1
InChIKeyDCKOXWIXRIOQMV-XPWALMASSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol with MolForge

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Related Compounds

3-[(9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide
CID 58680398
3-[(1S,9R)-9-(3-hydroxypropyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 155771773
(1S,9R,10R)-4-methoxy-17-[2-(4-methoxyphenyl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 22525245
(1R,8R,10S,11S)-12-(2-phenylethyl)-12-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-triene-6,8-diol
CID 71541564
(4aR,8aS)-4a-(3-methoxyphenyl)-2-(4-phenylbutyl)-4,5,6,7,8,8a-hexahydroisoquinoline-1,3-dione
CID 86736476
(4aS,8aS)-4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 13107984
(5aR,8aS)-5a-(3-methoxyphenyl)-2-methyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[c]azepin-1-one
CID 86736363
(1R,9R,10R)-17-[2-(4-methoxyphenyl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 5486124
(1S,9R,10R)-17-[2-(4-methoxyphenyl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 22525276
2-benzyl-4a-(3-methoxyphenyl)-3-propyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 20534363
oxalic acid;(1R,9R,10R)-4-phenoxy-17-(2-phenylethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 70582054
3-[2-(2-phenylethyl)-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-4a-yl]phenol;hydrobromide
CID 173433934

Frequently Asked Questions

What is the IUPAC name of (1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol (CID 16756733) is (1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol is COc1cccc([C@]23CCC[C@H]([C@@H]2O)N(CCc2ccccc2)CC3)c1.
What is the InChIKey of (1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is DCKOXWIXRIOQMV-XPWALMASSA-N. The full InChI is InChI=1S/C23H29NO2/c1-26-20-10-5-9-19(17-20)23-13-6-11-21(22(23)25)24(16-14-23)15-12-18-7-3-2-4-8-18/h2-5,7-10,17,21-22,25H,6,11-16H2,1H3/t21-,22+,23-/m1/s1.
What are the key properties of (1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol?
(1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 351.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,9R)-5-(3-methoxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 16756733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).