3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride

C10H13Cl2NO — CID 86262193

IUPAC3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride
SMILESCl.Clc1cccc(OCC2CNC2)c1
InChIInChI=1S/C10H12ClNO.ClH/c11-9-2-1-3-10(4-9)13-7-8-5-12-6-8;/h1-4,8,12H,5-7H2;1H
InChIKeyCNPOABJRMPADBB-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.36
Rot. Bonds3

About 3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride

3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride (PubChem CID 86262193) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride
PubChem CID86262193
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride
SMILESCl.Clc1cccc(OCC2CNC2)c1
InChIInChI=1S/C10H12ClNO.ClH/c11-9-2-1-3-10(4-9)13-7-8-5-12-6-8;/h1-4,8,12H,5-7H2;1H
InChIKeyCNPOABJRMPADBB-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(3,4-dichlorophenoxy)methyl]azetidine
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3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride
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3-[(3-ethylphenoxy)methyl]azetidine
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3-[(3-chloro-5-fluorophenoxy)methyl]azetidine
CID 154815248
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104047
5-[(3-chlorophenoxy)methyl]-2-methylmorpholine
CID 82293207
3-[(5-chloro-2-methylphenoxy)methyl]azetidine
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CID 24902414

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride (CID 86262193) is 3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride is Cl.Clc1cccc(OCC2CNC2)c1.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride?
The InChIKey is CNPOABJRMPADBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO.ClH/c11-9-2-1-3-10(4-9)13-7-8-5-12-6-8;/h1-4,8,12H,5-7H2;1H.
What are the key properties of 3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride?
3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride has a molecular weight of 234.13 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride is sourced from PubChem (CID 86262193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).