9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

C23H29NO — CID 171958704

IUPAC9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1ccc(C)c(C2(O)CC3CCCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C23H29NO/c1-17-11-12-18(2)22(13-17)23(25)14-20-9-6-10-21(15-23)24(20)16-19-7-4-3-5-8-19/h3-5,7-8,11-13,20-21,25H,6,9-10,14-16H2,1-2H3
InChIKeyUHEYNEJLMRJZSA-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.71
Rot. Bonds3

About 9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171958704) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171958704
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1ccc(C)c(C2(O)CC3CCCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C23H29NO/c1-17-11-12-18(2)22(13-17)23(25)14-20-9-6-10-21(15-23)24(20)16-19-7-4-3-5-8-19/h3-5,7-8,11-13,20-21,25H,6,9-10,14-16H2,1-2H3
InChIKeyUHEYNEJLMRJZSA-UHFFFAOYSA-N
XLogP4.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959095
8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964404
9-benzyl-3-[(2,6-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962131
9-benzyl-3-[2-methyl-3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964115
8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957894
9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953205
9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957974
9-benzyl-3-[3-(difluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961885
9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964952
8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171962124
8-benzyl-3-(4-methoxy-3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961415
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2,4-dimethylphenyl)methanone
CID 171944441

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171958704) is 9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is Cc1ccc(C)c(C2(O)CC3CCCC(C2)N3Cc2ccccc2)c1.
What is the InChIKey of 9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is UHEYNEJLMRJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-17-11-12-18(2)22(13-17)23(25)14-20-9-6-10-21(15-23)24(20)16-19-7-4-3-5-8-19/h3-5,7-8,11-13,20-21,25H,6,9-10,14-16H2,1-2H3.
What are the key properties of 9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 335.49 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171958704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).