3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

C15H21NO — CID 63588116

IUPAC3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(C)cc(C2(O)CC3CCC(C2)N3)c1
InChIInChI=1S/C15H21NO/c1-10-5-11(2)7-12(6-10)15(17)8-13-3-4-14(9-15)16-13/h5-7,13-14,16-17H,3-4,8-9H2,1-2H3
InChIKeyIVBHYZIQNDQYFT-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.41
Rot. Bonds1

About 3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63588116) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63588116
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(C)cc(C2(O)CC3CCC(C2)N3)c1
InChIInChI=1S/C15H21NO/c1-10-5-11(2)7-12(6-10)15(17)8-13-3-4-14(9-15)16-13/h5-7,13-14,16-17H,3-4,8-9H2,1-2H3
InChIKeyIVBHYZIQNDQYFT-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63588116) is 3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is Cc1cc(C)cc(C2(O)CC3CCC(C2)N3)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is IVBHYZIQNDQYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-5-11(2)7-12(6-10)15(17)8-13-3-4-14(9-15)16-13/h5-7,13-14,16-17H,3-4,8-9H2,1-2H3.
What are the key properties of 3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 231.34 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63588116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).