3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol

C11H15NO2 — CID 117200214

IUPAC3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol
SMILESCNCCC1COc2cccc(O)c21
InChIInChI=1S/C11H15NO2/c1-12-6-5-8-7-14-10-4-2-3-9(13)11(8)10/h2-4,8,12-13H,5-7H2,1H3
InChIKeyVDWFDGLMPUHNBX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.48
Rot. Bonds3

About 3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol

3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol (PubChem CID 117200214) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol.

Molecular Properties

Compound Name3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol
PubChem CID117200214
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol
SMILESCNCCC1COc2cccc(O)c21
InChIInChI=1S/C11H15NO2/c1-12-6-5-8-7-14-10-4-2-3-9(13)11(8)10/h2-4,8,12-13H,5-7H2,1H3
InChIKeyVDWFDGLMPUHNBX-UHFFFAOYSA-N
XLogP1.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol
CID 117198906
2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 117200227
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229
1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
CID 117199656
N-methyl-2-(2-methylidenecyclopropyl)ethanamine
CID 147248580
3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine
CID 117199241
4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151605
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129462509
4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol
CID 163222163
4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151617
2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
CID 117199967
methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
CID 130722266

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol?
The IUPAC name of 3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol (CID 117200214) is 3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol.
What is the SMILES notation for 3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol?
The canonical SMILES for 3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol is CNCCC1COc2cccc(O)c21.
What is the InChIKey of 3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol?
The InChIKey is VDWFDGLMPUHNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-6-5-8-7-14-10-4-2-3-9(13)11(8)10/h2-4,8,12-13H,5-7H2,1H3.
What are the key properties of 3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol?
3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol has a molecular weight of 193.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol is sourced from PubChem (CID 117200214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).