1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine

C15H21NO2 — CID 141352701

IUPAC1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine
SMILESCC1(C)Cc2cccc(OCCN3CCC3)c2O1
InChIInChI=1S/C15H21NO2/c1-15(2)11-12-5-3-6-13(14(12)18-15)17-10-9-16-7-4-8-16/h3,5-6H,4,7-11H2,1-2H3
InChIKeyGRJDAYUHDVCXDJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine

1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine (PubChem CID 141352701) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine.

Molecular Properties

Compound Name1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine
PubChem CID141352701
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine
SMILESCC1(C)Cc2cccc(OCCN3CCC3)c2O1
InChIInChI=1S/C15H21NO2/c1-15(2)11-12-5-3-6-13(14(12)18-15)17-10-9-16-7-4-8-16/h3,5-6H,4,7-11H2,1-2H3
InChIKeyGRJDAYUHDVCXDJ-UHFFFAOYSA-N
XLogP2.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butyl]isoindole-1,3-dione
CID 141497345
7-(3-azidopropoxy)-2,2-dimethyl-3H-1-benzofuran
CID 61397191
2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol
CID 79563593
N-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]cyclopropanamine
CID 29015499
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-(propan-2-ylamino)butan-1-ol
CID 64804395
2,2-dimethyl-7-[[(2S)-oxiran-2-yl]methoxy]-3H-1-benzofuran
CID 30075050
7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
CID 66222745
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylhexan-3-amine
CID 106800682
N-[[1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidin-3-yl]methyl]naphthalene-2-sulfonamide
CID 71151688
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propane-1,2-diol
CID 82850589

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine?
The IUPAC name of 1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine (CID 141352701) is 1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine.
What is the SMILES notation for 1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine?
The canonical SMILES for 1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine is CC1(C)Cc2cccc(OCCN3CCC3)c2O1.
What is the InChIKey of 1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine?
The InChIKey is GRJDAYUHDVCXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)11-12-5-3-6-13(14(12)18-15)17-10-9-16-7-4-8-16/h3,5-6H,4,7-11H2,1-2H3.
What are the key properties of 1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine?
1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine has a molecular weight of 247.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine is sourced from PubChem (CID 141352701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).