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

C18H27NO2 — CID 66357294

IUPAC3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2cccc3c2OC(C)(C)C3)C1(C)C
InChIInChI=1S/C18H27NO2/c1-6-19-14-10-15(18(14,4)5)20-13-9-7-8-12-11-17(2,3)21-16(12)13/h7-9,14-15,19H,6,10-11H2,1-5H3
InChIKeyVPSUETHCMWYOFB-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.56
Rot. Bonds4

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

3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine (PubChem CID 66357294) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
PubChem CID66357294
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2cccc3c2OC(C)(C)C3)C1(C)C
InChIInChI=1S/C18H27NO2/c1-6-19-14-10-15(18(14,4)5)20-13-9-7-8-12-11-17(2,3)21-16(12)13/h7-9,14-15,19H,6,10-11H2,1-5H3
InChIKeyVPSUETHCMWYOFB-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.56
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]-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine (CID 66357294) is 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine is CCNC1CC(Oc2cccc3c2OC(C)(C)C3)C1(C)C.
What is the InChIKey of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The InChIKey is VPSUETHCMWYOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-6-19-14-10-15(18(14,4)5)20-13-9-7-8-12-11-17(2,3)21-16(12)13/h7-9,14-15,19H,6,10-11H2,1-5H3.
What are the key properties of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine?
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.56, 4 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]-N-ethyl-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66357294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).