1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride

C12H17Cl2NO — CID 175600849

IUPAC1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride
SMILESCl.ClCc1ccc(OCCN2CCC2)cc1
InChIInChI=1S/C12H16ClNO.ClH/c13-10-11-2-4-12(5-3-11)15-9-8-14-6-1-7-14;/h2-5H,1,6-10H2;1H
InChIKeyWIDGYEBVVVCWJC-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.93
Rot. Bonds5

About 1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride

1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride (PubChem CID 175600849) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride
PubChem CID175600849
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride
SMILESCl.ClCc1ccc(OCCN2CCC2)cc1
InChIInChI=1S/C12H16ClNO.ClH/c13-10-11-2-4-12(5-3-11)15-9-8-14-6-1-7-14;/h2-5H,1,6-10H2;1H
InChIKeyWIDGYEBVVVCWJC-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;1,2-dichloroethane;[4-(2-piperidin-1-ylethoxy)phenyl]methanol;thionyl dichloride
CID 159224641
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-(2-chloroethyl)-4-(2-phenoxyethyl)-1,4-diazepane
CID 63387533
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-[4-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopropyl]phenoxy]ethyl]pyrrolidine;dihydrochloride
CID 70394734

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride?
The IUPAC name of 1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride (CID 175600849) is 1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride.
What is the SMILES notation for 1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride?
The canonical SMILES for 1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride is Cl.ClCc1ccc(OCCN2CCC2)cc1.
What is the InChIKey of 1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride?
The InChIKey is WIDGYEBVVVCWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c13-10-11-2-4-12(5-3-11)15-9-8-14-6-1-7-14;/h2-5H,1,6-10H2;1H.
What are the key properties of 1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride?
1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride is sourced from PubChem (CID 175600849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).