(1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

C13H15Cl2NO — CID 25132531

IUPAC(1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cccc(Cl)c2Cl)C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C13H15Cl2NO/c14-11-3-1-2-10(12(11)15)13(17)6-8-4-5-9(7-13)16-8/h1-3,8-9,16-17H,4-7H2/t8-,9+,13?
InChIKeyRTURFOPLHFKREU-PHXKMMTBSA-N
MW272.17 g/mol
LogP3.10
Rot. Bonds1

About (1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

(1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 25132531) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is (1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID25132531
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name(1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cccc(Cl)c2Cl)C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C13H15Cl2NO/c14-11-3-1-2-10(12(11)15)13(17)6-8-4-5-9(7-13)16-8/h1-3,8-9,16-17H,4-7H2/t8-,9+,13?
InChIKeyRTURFOPLHFKREU-PHXKMMTBSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 25132531) is (1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2cccc(Cl)c2Cl)C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is RTURFOPLHFKREU-PHXKMMTBSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-11-3-1-2-10(12(11)15)13(17)6-8-4-5-9(7-13)16-8/h1-3,8-9,16-17H,4-7H2/t8-,9+,13?.
What are the key properties of (1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 272.17 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 25132531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).