3-(3,4-dimethylphenyl)azetidine

C11H15N — CID 82280235

IUPAC3-(3,4-dimethylphenyl)azetidine
SMILESCc1ccc(C2CNC2)cc1C
InChIInChI=1S/C11H15N/c1-8-3-4-10(5-9(8)2)11-6-12-7-11/h3-5,11-12H,6-7H2,1-2H3
InChIKeyRAXTZISFRLWBQO-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.99
Rot. Bonds1

About 3-(3,4-dimethylphenyl)azetidine

3-(3,4-dimethylphenyl)azetidine (PubChem CID 82280235) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)azetidine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)azetidine
PubChem CID82280235
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-(3,4-dimethylphenyl)azetidine
SMILESCc1ccc(C2CNC2)cc1C
InChIInChI=1S/C11H15N/c1-8-3-4-10(5-9(8)2)11-6-12-7-11/h3-5,11-12H,6-7H2,1-2H3
InChIKeyRAXTZISFRLWBQO-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)azetidine?
The IUPAC name of 3-(3,4-dimethylphenyl)azetidine (CID 82280235) is 3-(3,4-dimethylphenyl)azetidine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)azetidine?
The canonical SMILES for 3-(3,4-dimethylphenyl)azetidine is Cc1ccc(C2CNC2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)azetidine?
The InChIKey is RAXTZISFRLWBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-3-4-10(5-9(8)2)11-6-12-7-11/h3-5,11-12H,6-7H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)azetidine?
3-(3,4-dimethylphenyl)azetidine has a molecular weight of 161.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)azetidine is sourced from PubChem (CID 82280235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).