3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine

C12H16ClNO — CID 107391714

IUPAC3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine
SMILESCc1ccc(OCCC2CNC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9-2-3-12(11(13)6-9)15-5-4-10-7-14-8-10/h2-3,6,10,14H,4-5,7-8H2,1H3
InChIKeyPLXWEJRFTUCDSG-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.64
Rot. Bonds4

About 3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine

3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine (PubChem CID 107391714) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine.

Molecular Properties

Compound Name3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine
PubChem CID107391714
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine
SMILESCc1ccc(OCCC2CNC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9-2-3-12(11(13)6-9)15-5-4-10-7-14-8-10/h2-3,6,10,14H,4-5,7-8H2,1H3
InChIKeyPLXWEJRFTUCDSG-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[2-(2-chloro-4-methylphenoxy)ethyl]piperidine
CID 86320313
3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine
CID 107391583
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
1-[3-(2-chloro-4-methylphenoxy)propyl]pyrrolidin-1-ium
CID 2247390
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
1-[3-(2-chloro-4-methylphenoxy)propyl]piperidin-1-ium
CID 2250602
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 56830076
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
4-[2-(2-fluoro-5-methylphenoxy)ethyl]piperidine
CID 64854447
4-(2-chloro-4-methylphenoxy)butanenitrile
CID 62669172
3-[2-(3,4-dimethylphenoxy)ethyl]azetidine
CID 107391539
3-[2-(2,4-dichlorophenoxy)ethylsulfanylmethyl]azetidine
CID 66289058

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine?
The IUPAC name of 3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine (CID 107391714) is 3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine.
What is the SMILES notation for 3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine?
The canonical SMILES for 3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine is Cc1ccc(OCCC2CNC2)c(Cl)c1.
What is the InChIKey of 3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine?
The InChIKey is PLXWEJRFTUCDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-2-3-12(11(13)6-9)15-5-4-10-7-14-8-10/h2-3,6,10,14H,4-5,7-8H2,1H3.
What are the key properties of 3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine?
3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine has a molecular weight of 225.72 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine is sourced from PubChem (CID 107391714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).