3-(4-chlorophenyl)azetidine

C9H10ClN — CID 23620

IUPAC3-(4-chlorophenyl)azetidine
SMILESClc1ccc(C2CNC2)cc1
InChIInChI=1S/C9H10ClN/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8,11H,5-6H2
InChIKeyUPXXQMBUBSHBEZ-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.03
Rot. Bonds1

About 3-(4-chlorophenyl)azetidine

3-(4-chlorophenyl)azetidine (PubChem CID 23620) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 3-(4-chlorophenyl)azetidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)azetidine
PubChem CID23620
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name3-(4-chlorophenyl)azetidine
SMILESClc1ccc(C2CNC2)cc1
InChIInChI=1S/C9H10ClN/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8,11H,5-6H2
InChIKeyUPXXQMBUBSHBEZ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(4-Chlorophenyl)ethylamine
CID 67430
[2-(3-Chlorophenyl)ethyl](methyl)amine
CID 10583272
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CID 2723612
p-Chloromethamphetamine
CID 3128
3-(4-Chlorophenyl)propan-1-amine
CID 6485772
Didesmethylsibutramine
CID 134772

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)azetidine?
The IUPAC name of 3-(4-chlorophenyl)azetidine (CID 23620) is 3-(4-chlorophenyl)azetidine.
What is the SMILES notation for 3-(4-chlorophenyl)azetidine?
The canonical SMILES for 3-(4-chlorophenyl)azetidine is Clc1ccc(C2CNC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)azetidine?
The InChIKey is UPXXQMBUBSHBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8,11H,5-6H2.
What are the key properties of 3-(4-chlorophenyl)azetidine?
3-(4-chlorophenyl)azetidine has a molecular weight of 167.64 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)azetidine is sourced from PubChem (CID 23620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).