2-[2-(methylamino)ethyl]-1-benzofuran-3-ol

C11H13NO2 — CID 112545647

IUPAC2-[2-(methylamino)ethyl]-1-benzofuran-3-ol
SMILESCNCCc1oc2ccccc2c1O
InChIInChI=1S/C11H13NO2/c1-12-7-6-10-11(13)8-4-2-3-5-9(8)14-10/h2-5,12-13H,6-7H2,1H3
InChIKeyWAPMRJJVOKLRKM-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.90
Rot. Bonds3

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

2-[2-(methylamino)ethyl]-1-benzofuran-3-ol (PubChem CID 112545647) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-1-benzofuran-3-ol.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-1-benzofuran-3-ol
PubChem CID112545647
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[2-(methylamino)ethyl]-1-benzofuran-3-ol
SMILESCNCCc1oc2ccccc2c1O
InChIInChI=1S/C11H13NO2/c1-12-7-6-10-11(13)8-4-2-3-5-9(8)14-10/h2-5,12-13H,6-7H2,1H3
InChIKeyWAPMRJJVOKLRKM-UHFFFAOYSA-N
XLogP1.90
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylamino)ethyl]-1-benzofuran-4-ol
CID 117194545
1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine
CID 84800316
1-benzofuran-2,3-diol
CID 22994886
4-hydroxy-3-methylchromen-2-one
CID 54687016
methyl (3R)-3-(4-hydroxy-2-oxochromen-3-yl)butanoate
CID 71681617
3-benzyl-4-hydroxychromen-2-one;ethane
CID 91487265
2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol
CID 112546011
4-hydroxy-3-(4-hydroxy-2-oxochromen-3-yl)sulfanylchromen-2-one
CID 54703982
5-dibenzofuran-2-yl-N,3-dimethylpentan-1-amine
CID 65304674
2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol
CID 112545642
3-ethylsulfanyl-4-hydroxychromen-2-one
CID 86081050
1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea
CID 91082728

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-1-benzofuran-3-ol?
The IUPAC name of 2-[2-(methylamino)ethyl]-1-benzofuran-3-ol (CID 112545647) is 2-[2-(methylamino)ethyl]-1-benzofuran-3-ol.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-1-benzofuran-3-ol?
The canonical SMILES for 2-[2-(methylamino)ethyl]-1-benzofuran-3-ol is CNCCc1oc2ccccc2c1O.
What is the InChIKey of 2-[2-(methylamino)ethyl]-1-benzofuran-3-ol?
The InChIKey is WAPMRJJVOKLRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-7-6-10-11(13)8-4-2-3-5-9(8)14-10/h2-5,12-13H,6-7H2,1H3.
What are the key properties of 2-[2-(methylamino)ethyl]-1-benzofuran-3-ol?
2-[2-(methylamino)ethyl]-1-benzofuran-3-ol has a molecular weight of 191.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-1-benzofuran-3-ol is sourced from PubChem (CID 112545647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).