3-(3-methylphenyl)azetidine;hydrochloride

C10H14ClN — CID 154791369

IUPAC3-(3-methylphenyl)azetidine;hydrochloride
SMILESCc1cccc(C2CNC2)c1.Cl
InChIInChI=1S/C10H13N.ClH/c1-8-3-2-4-9(5-8)10-6-11-7-10;/h2-5,10-11H,6-7H2,1H3;1H
InChIKeyHCJLXEFOFRJLHX-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.10
Rot. Bonds1

About 3-(3-methylphenyl)azetidine;hydrochloride

3-(3-methylphenyl)azetidine;hydrochloride (PubChem CID 154791369) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 3-(3-methylphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(3-methylphenyl)azetidine;hydrochloride
PubChem CID154791369
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name3-(3-methylphenyl)azetidine;hydrochloride
SMILESCc1cccc(C2CNC2)c1.Cl
InChIInChI=1S/C10H13N.ClH/c1-8-3-2-4-9(5-8)10-6-11-7-10;/h2-5,10-11H,6-7H2,1H3;1H
InChIKeyHCJLXEFOFRJLHX-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)azetidine;hydrochloride?
The IUPAC name of 3-(3-methylphenyl)azetidine;hydrochloride (CID 154791369) is 3-(3-methylphenyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(3-methylphenyl)azetidine;hydrochloride?
The canonical SMILES for 3-(3-methylphenyl)azetidine;hydrochloride is Cc1cccc(C2CNC2)c1.Cl.
What is the InChIKey of 3-(3-methylphenyl)azetidine;hydrochloride?
The InChIKey is HCJLXEFOFRJLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-8-3-2-4-9(5-8)10-6-11-7-10;/h2-5,10-11H,6-7H2,1H3;1H.
What are the key properties of 3-(3-methylphenyl)azetidine;hydrochloride?
3-(3-methylphenyl)azetidine;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)azetidine;hydrochloride is sourced from PubChem (CID 154791369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).