(2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol

C16H23NO2 — CID 154733034

IUPAC(2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol
SMILESCCN(CC)[C@@H](CO)c1cccc2c(C)c(C)oc12
InChIInChI=1S/C16H23NO2/c1-5-17(6-2)15(10-18)14-9-7-8-13-11(3)12(4)19-16(13)14/h7-9,15,18H,5-6,10H2,1-4H3/t15-/m0/s1
InChIKeyGJLKKMYIDLNMFF-HNNXBMFYSA-N
MW261.37 g/mol
LogP3.42
Rot. Bonds5

About (2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol

(2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol (PubChem CID 154733034) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol
PubChem CID154733034
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol
SMILESCCN(CC)[C@@H](CO)c1cccc2c(C)c(C)oc12
InChIInChI=1S/C16H23NO2/c1-5-17(6-2)15(10-18)14-9-7-8-13-11(3)12(4)19-16(13)14/h7-9,15,18H,5-6,10H2,1-4H3/t15-/m0/s1
InChIKeyGJLKKMYIDLNMFF-HNNXBMFYSA-N
XLogP3.42
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol?
The IUPAC name of (2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol (CID 154733034) is (2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol.
What is the SMILES notation for (2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol?
The canonical SMILES for (2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol is CCN(CC)[C@@H](CO)c1cccc2c(C)c(C)oc12.
What is the InChIKey of (2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol?
The InChIKey is GJLKKMYIDLNMFF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-17(6-2)15(10-18)14-9-7-8-13-11(3)12(4)19-16(13)14/h7-9,15,18H,5-6,10H2,1-4H3/t15-/m0/s1.
What are the key properties of (2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol?
(2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol has a molecular weight of 261.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethanol is sourced from PubChem (CID 154733034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).