3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol

C12H15NO2 — CID 167469231

IUPAC3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol
SMILESCN(C)CCc1coc2cccc(O)c12
InChIInChI=1S/C12H15NO2/c1-13(2)7-6-9-8-15-11-5-3-4-10(14)12(9)11/h3-5,8,14H,6-7H2,1-2H3
InChIKeyILZFLEKYDQZWQX-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.24
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol

3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol (PubChem CID 167469231) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol
PubChem CID167469231
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol
SMILESCN(C)CCc1coc2cccc(O)c12
InChIInChI=1S/C12H15NO2/c1-13(2)7-6-9-8-15-11-5-3-4-10(14)12(9)11/h3-5,8,14H,6-7H2,1-2H3
InChIKeyILZFLEKYDQZWQX-UHFFFAOYSA-N
XLogP2.24
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 117170265
3-[(dimethylamino)methyl]-1-benzofuran-4-amine
CID 117170261
3-[(cyclobutylamino)methyl]-1-benzofuran-4-ol
CID 117170251
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol
CID 171520765
3-(2-bromoethyl)-4-methoxy-1-benzofuran
CID 121364894
2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol
CID 117170357
2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 134862920
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379
[3-[2-(dimethylamino)ethyl]-7-methyl-1-benzofuran-4-yl] acetate
CID 177084728
N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115
N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide
CID 115166767

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol (CID 167469231) is 3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol is CN(C)CCc1coc2cccc(O)c12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol?
The InChIKey is ILZFLEKYDQZWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13(2)7-6-9-8-15-11-5-3-4-10(14)12(9)11/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol?
3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol has a molecular weight of 205.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol is sourced from PubChem (CID 167469231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).