3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine

C16H19NO2 — CID 56914174

IUPAC3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine
SMILESCCc1ccccc1OC1CN(Cc2ccco2)C1
InChIInChI=1S/C16H19NO2/c1-2-13-6-3-4-8-16(13)19-15-11-17(12-15)10-14-7-5-9-18-14/h3-9,15H,2,10-12H2,1H3
InChIKeyLSIHZEGCZIQQBY-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.11
Rot. Bonds5

About 3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine

3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine (PubChem CID 56914174) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine.

Molecular Properties

Compound Name3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine
PubChem CID56914174
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine
SMILESCCc1ccccc1OC1CN(Cc2ccco2)C1
InChIInChI=1S/C16H19NO2/c1-2-13-6-3-4-8-16(13)19-15-11-17(12-15)10-14-7-5-9-18-14/h3-9,15H,2,10-12H2,1H3
InChIKeyLSIHZEGCZIQQBY-UHFFFAOYSA-N
XLogP3.11
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
[3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 97284449
1-(3-bromocyclobutyl)oxy-2-ethylbenzene
CID 66344081
2-[1-(furan-2-ylmethyl)azetidin-3-yl]propanoic acid
CID 116683796
3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009587
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
(2R)-1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-methylsulfanylpropan-1-one
CID 97126152
[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea
CID 72866935
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 126476688
1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70723771
(3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97277699

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine?
The IUPAC name of 3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine (CID 56914174) is 3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine.
What is the SMILES notation for 3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine?
The canonical SMILES for 3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine is CCc1ccccc1OC1CN(Cc2ccco2)C1.
What is the InChIKey of 3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine?
The InChIKey is LSIHZEGCZIQQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-13-6-3-4-8-16(13)19-15-11-17(12-15)10-14-7-5-9-18-14/h3-9,15H,2,10-12H2,1H3.
What are the key properties of 3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine?
3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine has a molecular weight of 257.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenoxy)-1-(furan-2-ylmethyl)azetidine is sourced from PubChem (CID 56914174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).