3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine

C18H23NO3 — CID 77092593

IUPAC3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine
SMILESCCCc1ccc(CN2CC(Oc3cccc(OC)c3)C2)o1
InChIInChI=1S/C18H23NO3/c1-3-5-14-8-9-17(21-14)11-19-12-18(13-19)22-16-7-4-6-15(10-16)20-2/h4,6-10,18H,3,5,11-13H2,1-2H3
InChIKeyVAFIHPUWJDVYMT-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.50
Rot. Bonds7

About 3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine

3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine (PubChem CID 77092593) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine
PubChem CID77092593
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine
SMILESCCCc1ccc(CN2CC(Oc3cccc(OC)c3)C2)o1
InChIInChI=1S/C18H23NO3/c1-3-5-14-8-9-17(21-14)11-19-12-18(13-19)22-16-7-4-6-15(10-16)20-2/h4,6-10,18H,3,5,11-13H2,1-2H3
InChIKeyVAFIHPUWJDVYMT-UHFFFAOYSA-N
XLogP3.50
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine
CID 124755241
3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine
CID 95727768
1-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-3-(3-methoxyphenoxy)azetidine
CID 56913519
2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine
CID 56905779
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone
CID 70729315
2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 77097732
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[3-(3-methoxyphenoxy)azetidin-1-yl]propan-1-one
CID 91832930
1-(4-methoxyphenyl)-4-[(5-propylfuran-2-yl)methyl]piperazin-2-one
CID 70763198
(3S,4S)-4-(hydroxymethyl)-1-[(5-propylfuran-2-yl)methyl]piperidin-3-ol
CID 133125674
2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 70750140
formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine
CID 154915892
3-(3-methoxyphenoxy)cyclobutan-1-amine
CID 66356689

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine?
The IUPAC name of 3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine (CID 77092593) is 3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine.
What is the SMILES notation for 3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine?
The canonical SMILES for 3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine is CCCc1ccc(CN2CC(Oc3cccc(OC)c3)C2)o1.
What is the InChIKey of 3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine?
The InChIKey is VAFIHPUWJDVYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-5-14-8-9-17(21-14)11-19-12-18(13-19)22-16-7-4-6-15(10-16)20-2/h4,6-10,18H,3,5,11-13H2,1-2H3.
What are the key properties of 3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine?
3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine has a molecular weight of 301.39 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine is sourced from PubChem (CID 77092593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).