3-naphthalen-1-yloxyazetidine;hydrochloride

C13H14ClNO — CID 22451506

IUPAC3-naphthalen-1-yloxyazetidine;hydrochloride
SMILESCl.c1ccc2c(OC3CNC3)cccc2c1
InChIInChI=1S/C13H13NO.ClH/c1-2-6-12-10(4-1)5-3-7-13(12)15-11-8-14-9-11;/h1-7,11,14H,8-9H2;1H
InChIKeyKZEWMFAVGYEZLJ-UHFFFAOYSA-N
MW235.71 g/mol
LogP2.61
Rot. Bonds2

About 3-naphthalen-1-yloxyazetidine;hydrochloride

3-naphthalen-1-yloxyazetidine;hydrochloride (PubChem CID 22451506) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 3-naphthalen-1-yloxyazetidine;hydrochloride.

Molecular Properties

Compound Name3-naphthalen-1-yloxyazetidine;hydrochloride
PubChem CID22451506
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name3-naphthalen-1-yloxyazetidine;hydrochloride
SMILESCl.c1ccc2c(OC3CNC3)cccc2c1
InChIInChI=1S/C13H13NO.ClH/c1-2-6-12-10(4-1)5-3-7-13(12)15-11-8-14-9-11;/h1-7,11,14H,8-9H2;1H
InChIKeyKZEWMFAVGYEZLJ-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yloxyazetidine;hydrochloride?
The IUPAC name of 3-naphthalen-1-yloxyazetidine;hydrochloride (CID 22451506) is 3-naphthalen-1-yloxyazetidine;hydrochloride.
What is the SMILES notation for 3-naphthalen-1-yloxyazetidine;hydrochloride?
The canonical SMILES for 3-naphthalen-1-yloxyazetidine;hydrochloride is Cl.c1ccc2c(OC3CNC3)cccc2c1.
What is the InChIKey of 3-naphthalen-1-yloxyazetidine;hydrochloride?
The InChIKey is KZEWMFAVGYEZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.ClH/c1-2-6-12-10(4-1)5-3-7-13(12)15-11-8-14-9-11;/h1-7,11,14H,8-9H2;1H.
What are the key properties of 3-naphthalen-1-yloxyazetidine;hydrochloride?
3-naphthalen-1-yloxyazetidine;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxyazetidine;hydrochloride is sourced from PubChem (CID 22451506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).