3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine

C14H19NO2 — CID 66357094

IUPAC3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine
SMILESCC1(C)Cc2cccc(OC3CC(N)C3)c2O1
InChIInChI=1S/C14H19NO2/c1-14(2)8-9-4-3-5-12(13(9)17-14)16-11-6-10(15)7-11/h3-5,10-11H,6-8,15H2,1-2H3
InChIKeyHLZLUPANEIGIMF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds2

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

3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine (PubChem CID 66357094) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine
PubChem CID66357094
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine
SMILESCC1(C)Cc2cccc(OC3CC(N)C3)c2O1
InChIInChI=1S/C14H19NO2/c1-14(2)8-9-4-3-5-12(13(9)17-14)16-11-6-10(15)7-11/h3-5,10-11H,6-8,15H2,1-2H3
InChIKeyHLZLUPANEIGIMF-UHFFFAOYSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine?
The IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine (CID 66357094) is 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine.
What is the SMILES notation for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine?
The canonical SMILES for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine is CC1(C)Cc2cccc(OC3CC(N)C3)c2O1.
What is the InChIKey of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine?
The InChIKey is HLZLUPANEIGIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)8-9-4-3-5-12(13(9)17-14)16-11-6-10(15)7-11/h3-5,10-11H,6-8,15H2,1-2H3.
What are the key properties of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine?
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 66357094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).