2-(3-chlorophenyl)azetidine

C9H10ClN — CID 55282694

IUPAC2-(3-chlorophenyl)azetidine
SMILESClc1cccc(C2CCN2)c1
InChIInChI=1S/C9H10ClN/c10-8-3-1-2-7(6-8)9-4-5-11-9/h1-3,6,9,11H,4-5H2
InChIKeyUZXPZLUVQZPMRK-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.37
Rot. Bonds1

About 2-(3-chlorophenyl)azetidine

2-(3-chlorophenyl)azetidine (PubChem CID 55282694) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-(3-chlorophenyl)azetidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)azetidine
PubChem CID55282694
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name2-(3-chlorophenyl)azetidine
SMILESClc1cccc(C2CCN2)c1
InChIInChI=1S/C9H10ClN/c10-8-3-1-2-7(6-8)9-4-5-11-9/h1-3,6,9,11H,4-5H2
InChIKeyUZXPZLUVQZPMRK-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-chlorophenyl)azetidine 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 2-(3-chlorophenyl)azetidine?
The IUPAC name of 2-(3-chlorophenyl)azetidine (CID 55282694) is 2-(3-chlorophenyl)azetidine.
What is the SMILES notation for 2-(3-chlorophenyl)azetidine?
The canonical SMILES for 2-(3-chlorophenyl)azetidine is Clc1cccc(C2CCN2)c1.
What is the InChIKey of 2-(3-chlorophenyl)azetidine?
The InChIKey is UZXPZLUVQZPMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-8-3-1-2-7(6-8)9-4-5-11-9/h1-3,6,9,11H,4-5H2.
What are the key properties of 2-(3-chlorophenyl)azetidine?
2-(3-chlorophenyl)azetidine has a molecular weight of 167.64 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)azetidine is sourced from PubChem (CID 55282694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).