(2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane

C15H19Cl2NO — CID 10447500

IUPAC(2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1[C@@H](COc1cccc(Cl)c1Cl)CC2
InChIInChI=1S/C15H19Cl2NO/c1-18-11-6-5-10(13(18)8-7-11)9-19-14-4-2-3-12(16)15(14)17/h2-4,10-11,13H,5-9H2,1H3/t10-,11?,13?/m1/s1
InChIKeyWBSMPPDAPDGBGN-XSRFYTQQSA-N
MW300.23 g/mol
LogP4.24
Rot. Bonds3

About (2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane

(2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 10447500) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is (2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID10447500
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name(2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1[C@@H](COc1cccc(Cl)c1Cl)CC2
InChIInChI=1S/C15H19Cl2NO/c1-18-11-6-5-10(13(18)8-7-11)9-19-14-4-2-3-12(16)15(14)17/h2-4,10-11,13H,5-9H2,1H3/t10-,11?,13?/m1/s1
InChIKeyWBSMPPDAPDGBGN-XSRFYTQQSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane 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 (2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane (CID 10447500) is (2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane is CN1C2CCC1[C@@H](COc1cccc(Cl)c1Cl)CC2.
What is the InChIKey of (2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is WBSMPPDAPDGBGN-XSRFYTQQSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-18-11-6-5-10(13(18)8-7-11)9-19-14-4-2-3-12(16)15(14)17/h2-4,10-11,13H,5-9H2,1H3/t10-,11?,13?/m1/s1.
What are the key properties of (2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane?
(2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 300.23 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,3-dichlorophenoxy)methyl]-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10447500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).