2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol

C22H27NO — CID 66875589

IUPAC2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol
SMILESCN1[C@@H]2CC[C@H]1CC(CC(O)(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C22H27NO/c1-23-20-12-13-21(23)15-17(14-20)16-22(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,24H,12-16H2,1H3/t17?,20-,21+
InChIKeyLAOBIJDCKIAALB-PRJVBOEPSA-N
MW321.46 g/mol
LogP4.19
Rot. Bonds4

About 2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol

2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol (PubChem CID 66875589) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol.

Molecular Properties

Compound Name2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol
PubChem CID66875589
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol
SMILESCN1[C@@H]2CC[C@H]1CC(CC(O)(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C22H27NO/c1-23-20-12-13-21(23)15-17(14-20)16-22(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,24H,12-16H2,1H3/t17?,20-,21+
InChIKeyLAOBIJDCKIAALB-PRJVBOEPSA-N
XLogP4.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol?
The IUPAC name of 2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol (CID 66875589) is 2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol.
What is the SMILES notation for 2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol?
The canonical SMILES for 2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol is CN1[C@@H]2CC[C@H]1CC(CC(O)(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of 2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol?
The InChIKey is LAOBIJDCKIAALB-PRJVBOEPSA-N. The full InChI is InChI=1S/C22H27NO/c1-23-20-12-13-21(23)15-17(14-20)16-22(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,24H,12-16H2,1H3/t17?,20-,21+.
What are the key properties of 2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol?
2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol has a molecular weight of 321.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol is sourced from PubChem (CID 66875589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).