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

C11H16ClNO — CID 70676155

IUPAC3-[methoxy(phenyl)methyl]azetidine;hydrochloride
SMILESCOC(c1ccccc1)C1CNC1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-13-11(10-7-12-8-10)9-5-3-2-4-6-9;/h2-6,10-12H,7-8H2,1H3;1H
InChIKeyPBCQYBZENRQFON-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.02
Rot. Bonds3

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

3-[methoxy(phenyl)methyl]azetidine;hydrochloride (PubChem CID 70676155) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-[methoxy(phenyl)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[methoxy(phenyl)methyl]azetidine;hydrochloride
PubChem CID70676155
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-[methoxy(phenyl)methyl]azetidine;hydrochloride
SMILESCOC(c1ccccc1)C1CNC1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-13-11(10-7-12-8-10)9-5-3-2-4-6-9;/h2-6,10-12H,7-8H2,1H3;1H
InChIKeyPBCQYBZENRQFON-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(phenyl)methyl]azetidine;hydrochloride?
The IUPAC name of 3-[methoxy(phenyl)methyl]azetidine;hydrochloride (CID 70676155) is 3-[methoxy(phenyl)methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[methoxy(phenyl)methyl]azetidine;hydrochloride?
The canonical SMILES for 3-[methoxy(phenyl)methyl]azetidine;hydrochloride is COC(c1ccccc1)C1CNC1.Cl.
What is the InChIKey of 3-[methoxy(phenyl)methyl]azetidine;hydrochloride?
The InChIKey is PBCQYBZENRQFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-13-11(10-7-12-8-10)9-5-3-2-4-6-9;/h2-6,10-12H,7-8H2,1H3;1H.
What are the key properties of 3-[methoxy(phenyl)methyl]azetidine;hydrochloride?
3-[methoxy(phenyl)methyl]azetidine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(phenyl)methyl]azetidine;hydrochloride is sourced from PubChem (CID 70676155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).