3-phenylmethoxyazetidine;hydrochloride

C10H14ClNO — CID 46737011

IUPAC3-phenylmethoxyazetidine;hydrochloride
SMILESCl.c1ccc(COC2CNC2)cc1
InChIInChI=1S/C10H13NO.ClH/c1-2-4-9(5-3-1)8-12-10-6-11-7-10;/h1-5,10-11H,6-8H2;1H
InChIKeyBQTSSUSLZRYTQB-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.60
Rot. Bonds3

About 3-phenylmethoxyazetidine;hydrochloride

3-phenylmethoxyazetidine;hydrochloride (PubChem CID 46737011) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-phenylmethoxyazetidine;hydrochloride.

Molecular Properties

Compound Name3-phenylmethoxyazetidine;hydrochloride
PubChem CID46737011
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-phenylmethoxyazetidine;hydrochloride
SMILESCl.c1ccc(COC2CNC2)cc1
InChIInChI=1S/C10H13NO.ClH/c1-2-4-9(5-3-1)8-12-10-6-11-7-10;/h1-5,10-11H,6-8H2;1H
InChIKeyBQTSSUSLZRYTQB-UHFFFAOYSA-N
XLogP1.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxyazetidine;hydrochloride?
The IUPAC name of 3-phenylmethoxyazetidine;hydrochloride (CID 46737011) is 3-phenylmethoxyazetidine;hydrochloride.
What is the SMILES notation for 3-phenylmethoxyazetidine;hydrochloride?
The canonical SMILES for 3-phenylmethoxyazetidine;hydrochloride is Cl.c1ccc(COC2CNC2)cc1.
What is the InChIKey of 3-phenylmethoxyazetidine;hydrochloride?
The InChIKey is BQTSSUSLZRYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c1-2-4-9(5-3-1)8-12-10-6-11-7-10;/h1-5,10-11H,6-8H2;1H.
What are the key properties of 3-phenylmethoxyazetidine;hydrochloride?
3-phenylmethoxyazetidine;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxyazetidine;hydrochloride is sourced from PubChem (CID 46737011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).