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

C14H21NO2 — CID 79451109

IUPAC3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine
SMILESCCOc1ccccc1OCCC1(C)CNC1
InChIInChI=1S/C14H21NO2/c1-3-16-12-6-4-5-7-13(12)17-9-8-14(2)10-15-11-14/h4-7,15H,3,8-11H2,1-2H3
InChIKeyUAFADIDHDYEUIW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds6

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

3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine (PubChem CID 79451109) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine.

Molecular Properties

Compound Name3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine
PubChem CID79451109
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine
SMILESCCOc1ccccc1OCCC1(C)CNC1
InChIInChI=1S/C14H21NO2/c1-3-16-12-6-4-5-7-13(12)17-9-8-14(2)10-15-11-14/h4-7,15H,3,8-11H2,1-2H3
InChIKeyUAFADIDHDYEUIW-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine
CID 79452061
1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine
CID 80610107
1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-ethoxybenzene
CID 66048885
1-(2-ethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898323
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
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
CID 57470241
CID 57470241
1-[2-(2-ethoxyphenoxy)ethyl]-N,4-dimethylpiperidin-4-amine
CID 115305364
2-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]bicyclo[2.2.1]heptane
CID 66033287

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine?
The IUPAC name of 3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine (CID 79451109) is 3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine.
What is the SMILES notation for 3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine?
The canonical SMILES for 3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine is CCOc1ccccc1OCCC1(C)CNC1.
What is the InChIKey of 3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine?
The InChIKey is UAFADIDHDYEUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-16-12-6-4-5-7-13(12)17-9-8-14(2)10-15-11-14/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of 3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine?
3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine has a molecular weight of 235.33 g/mol, XLogP of 2.46, 6 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-methylazetidine is sourced from PubChem (CID 79451109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).