2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol

C17H25NO2 — CID 18787505

IUPAC2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol
SMILESCCc1oc2c(C(CO)N(CC)CC)cccc2c1C
InChIInChI=1S/C17H25NO2/c1-5-16-12(4)13-9-8-10-14(17(13)20-16)15(11-19)18(6-2)7-3/h8-10,15,19H,5-7,11H2,1-4H3
InChIKeyFXNNNICQCLNEPG-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.68
Rot. Bonds6

About 2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol

2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol (PubChem CID 18787505) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol.

Molecular Properties

Compound Name2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol
PubChem CID18787505
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol
SMILESCCc1oc2c(C(CO)N(CC)CC)cccc2c1C
InChIInChI=1S/C17H25NO2/c1-5-16-12(4)13-9-8-10-14(17(13)20-16)15(11-19)18(6-2)7-3/h8-10,15,19H,5-7,11H2,1-4H3
InChIKeyFXNNNICQCLNEPG-UHFFFAOYSA-N
XLogP3.68
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol?
The IUPAC name of 2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol (CID 18787505) is 2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol.
What is the SMILES notation for 2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol?
The canonical SMILES for 2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol is CCc1oc2c(C(CO)N(CC)CC)cccc2c1C.
What is the InChIKey of 2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol?
The InChIKey is FXNNNICQCLNEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-16-12(4)13-9-8-10-14(17(13)20-16)15(11-19)18(6-2)7-3/h8-10,15,19H,5-7,11H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol?
2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol has a molecular weight of 275.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol is sourced from PubChem (CID 18787505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).