8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C23H29NO — CID 171962124

IUPAC8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cccc(C)c1CC1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H29NO/c1-17-7-6-8-18(2)22(17)15-23(25)13-20-11-12-21(14-23)24(20)16-19-9-4-3-5-10-19/h3-10,20-21,25H,11-16H2,1-2H3
InChIKeyIJQLJBVHZTUZRL-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.40
Rot. Bonds4

About 8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171962124) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171962124
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cccc(C)c1CC1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H29NO/c1-17-7-6-8-18(2)22(17)15-23(25)13-20-11-12-21(14-23)24(20)16-19-9-4-3-5-10-19/h3-10,20-21,25H,11-16H2,1-2H3
InChIKeyIJQLJBVHZTUZRL-UHFFFAOYSA-N
XLogP4.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-benzyl-3-[(2,6-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962131
8-benzyl-3-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171959064
8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171961758
8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962172
8-benzyl-3-decyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955895
8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171959524
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
8-benzyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952151
8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964404
8-benzyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171956906
8-benzyl-8-azabicyclo[3.2.1]octan-3-one;8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 159859403
tert-butyl 3-[(2,6-dimethylphenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171962121

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 171962124) is 8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is Cc1cccc(C)c1CC1(O)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is IJQLJBVHZTUZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-17-7-6-8-18(2)22(17)15-23(25)13-20-11-12-21(14-23)24(20)16-19-9-4-3-5-10-19/h3-10,20-21,25H,11-16H2,1-2H3.
What are the key properties of 8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 335.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171962124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).