2-[1-(methylamino)ethyl]-1-benzofuran-5-ol

C11H13NO2 — CID 117195301

IUPAC2-[1-(methylamino)ethyl]-1-benzofuran-5-ol
SMILESCNC(C)c1cc2cc(O)ccc2o1
InChIInChI=1S/C11H13NO2/c1-7(12-2)11-6-8-5-9(13)3-4-10(8)14-11/h3-7,12-13H,1-2H3
InChIKeyRZVRAZFEFSNSEN-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.42
Rot. Bonds2

About 2-[1-(methylamino)ethyl]-1-benzofuran-5-ol

2-[1-(methylamino)ethyl]-1-benzofuran-5-ol (PubChem CID 117195301) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[1-(methylamino)ethyl]-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-[1-(methylamino)ethyl]-1-benzofuran-5-ol
PubChem CID117195301
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[1-(methylamino)ethyl]-1-benzofuran-5-ol
SMILESCNC(C)c1cc2cc(O)ccc2o1
InChIInChI=1S/C11H13NO2/c1-7(12-2)11-6-8-5-9(13)3-4-10(8)14-11/h3-7,12-13H,1-2H3
InChIKeyRZVRAZFEFSNSEN-UHFFFAOYSA-N
XLogP2.42
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol
CID 43742780
N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047066
2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol
CID 117175993
6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
CID 11682483
N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide
CID 146127773
2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol
CID 25014934
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine
CID 43371885
6-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 56594088
2-(methylsulfanylmethyl)-1-benzofuran-5-ol
CID 117175988
3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol
CID 65036942
2-bromo-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 113464991
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440531

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethyl]-1-benzofuran-5-ol?
The IUPAC name of 2-[1-(methylamino)ethyl]-1-benzofuran-5-ol (CID 117195301) is 2-[1-(methylamino)ethyl]-1-benzofuran-5-ol.
What is the SMILES notation for 2-[1-(methylamino)ethyl]-1-benzofuran-5-ol?
The canonical SMILES for 2-[1-(methylamino)ethyl]-1-benzofuran-5-ol is CNC(C)c1cc2cc(O)ccc2o1.
What is the InChIKey of 2-[1-(methylamino)ethyl]-1-benzofuran-5-ol?
The InChIKey is RZVRAZFEFSNSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(12-2)11-6-8-5-9(13)3-4-10(8)14-11/h3-7,12-13H,1-2H3.
What are the key properties of 2-[1-(methylamino)ethyl]-1-benzofuran-5-ol?
2-[1-(methylamino)ethyl]-1-benzofuran-5-ol has a molecular weight of 191.23 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)ethyl]-1-benzofuran-5-ol is sourced from PubChem (CID 117195301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).