2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine

C16H23NO2 — CID 65126843

IUPAC2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine
SMILESCCC1CNCC(c2cccc3c2OC(C)(C)C3)O1
InChIInChI=1S/C16H23NO2/c1-4-12-9-17-10-14(18-12)13-7-5-6-11-8-16(2,3)19-15(11)13/h5-7,12,14,17H,4,8-10H2,1-3H3
InChIKeyVZWQZUCBVDHILT-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.84
Rot. Bonds2

About 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine (PubChem CID 65126843) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine
PubChem CID65126843
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine
SMILESCCC1CNCC(c2cccc3c2OC(C)(C)C3)O1
InChIInChI=1S/C16H23NO2/c1-4-12-9-17-10-14(18-12)13-7-5-6-11-8-16(2,3)19-15(11)13/h5-7,12,14,17H,4,8-10H2,1-3H3
InChIKeyVZWQZUCBVDHILT-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one
CID 103439665
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine
CID 64686696
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine
CID 79320927
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine
CID 66228757
[1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol
CID 64510953
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
CID 79510725
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylpiperidin-3-amine
CID 64508815
2-(4-cyclopropylphenyl)-6-ethylmorpholine
CID 79978379
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine
CID 64507040
[5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117405541
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-imino-1-propylimidazolidin-2-one
CID 138388646

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine?
The IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine (CID 65126843) is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine?
The canonical SMILES for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine is CCC1CNCC(c2cccc3c2OC(C)(C)C3)O1.
What is the InChIKey of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine?
The InChIKey is VZWQZUCBVDHILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-12-9-17-10-14(18-12)13-7-5-6-11-8-16(2,3)19-15(11)13/h5-7,12,14,17H,4,8-10H2,1-3H3.
What are the key properties of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine?
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine has a molecular weight of 261.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine is sourced from PubChem (CID 65126843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).