3-[ethoxy(phenyl)methyl]azetidine;hydrochloride

C12H18ClNO — CID 70676157

IUPAC3-[ethoxy(phenyl)methyl]azetidine;hydrochloride
SMILESCCOC(c1ccccc1)C1CNC1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-2-14-12(11-8-13-9-11)10-6-4-3-5-7-10;/h3-7,11-13H,2,8-9H2,1H3;1H
InChIKeyQADQXQPJDYRHHG-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.41
Rot. Bonds4

About 3-[ethoxy(phenyl)methyl]azetidine;hydrochloride

3-[ethoxy(phenyl)methyl]azetidine;hydrochloride (PubChem CID 70676157) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 3-[ethoxy(phenyl)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[ethoxy(phenyl)methyl]azetidine;hydrochloride
PubChem CID70676157
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name3-[ethoxy(phenyl)methyl]azetidine;hydrochloride
SMILESCCOC(c1ccccc1)C1CNC1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-2-14-12(11-8-13-9-11)10-6-4-3-5-7-10;/h3-7,11-13H,2,8-9H2,1H3;1H
InChIKeyQADQXQPJDYRHHG-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[ethoxy(phenyl)methyl]azetidine;hydrochloride 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 3-[ethoxy(phenyl)methyl]azetidine;hydrochloride?
The IUPAC name of 3-[ethoxy(phenyl)methyl]azetidine;hydrochloride (CID 70676157) is 3-[ethoxy(phenyl)methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[ethoxy(phenyl)methyl]azetidine;hydrochloride?
The canonical SMILES for 3-[ethoxy(phenyl)methyl]azetidine;hydrochloride is CCOC(c1ccccc1)C1CNC1.Cl.
What is the InChIKey of 3-[ethoxy(phenyl)methyl]azetidine;hydrochloride?
The InChIKey is QADQXQPJDYRHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-2-14-12(11-8-13-9-11)10-6-4-3-5-7-10;/h3-7,11-13H,2,8-9H2,1H3;1H.
What are the key properties of 3-[ethoxy(phenyl)methyl]azetidine;hydrochloride?
3-[ethoxy(phenyl)methyl]azetidine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(phenyl)methyl]azetidine;hydrochloride is sourced from PubChem (CID 70676157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).