3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine

C15H23NO2 — CID 79452061

IUPAC3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine
SMILESCCOc1ccccc1OCCC1(CC)CNC1
InChIInChI=1S/C15H23NO2/c1-3-15(11-16-12-15)9-10-18-14-8-6-5-7-13(14)17-4-2/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyLTLUHDKYZIBCKT-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds7

About 3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine

3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine (PubChem CID 79452061) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine.

Molecular Properties

Compound Name3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine
PubChem CID79452061
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine
SMILESCCOc1ccccc1OCCC1(CC)CNC1
InChIInChI=1S/C15H23NO2/c1-3-15(11-16-12-15)9-10-18-14-8-6-5-7-13(14)17-4-2/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyLTLUHDKYZIBCKT-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine
CID 79451109
1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene
CID 66048885
1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine
CID 80610107
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
CID 65008523
(2-ethoxyphenyl)phosphane
CID 19813759
3-[[2-(2-ethoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
CID 114761043
1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione
CID 66061863
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114
4-[2-(2-ethoxyphenoxy)ethoxy]piperidine
CID 28803023
[1-[2-(2-methoxyphenoxy)ethyl]cyclopropyl]methanamine
CID 66026414
CID 57470241
CID 57470241
1-(2-ethoxyphenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735607

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine?
The IUPAC name of 3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine (CID 79452061) is 3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine.
What is the SMILES notation for 3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine?
The canonical SMILES for 3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine is CCOc1ccccc1OCCC1(CC)CNC1.
What is the InChIKey of 3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine?
The InChIKey is LTLUHDKYZIBCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-15(11-16-12-15)9-10-18-14-8-6-5-7-13(14)17-4-2/h5-8,16H,3-4,9-12H2,1-2H3.
What are the key properties of 3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine?
3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine has a molecular weight of 249.35 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine is sourced from PubChem (CID 79452061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).