4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol

C12H17NO3 — CID 117319735

IUPAC4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCNCC(O)c1c(O)c(C)cc2c1CCO2
InChIInChI=1S/C12H17NO3/c1-7-5-10-8(3-4-16-10)11(12(7)15)9(14)6-13-2/h5,9,13-15H,3-4,6H2,1-2H3
InChIKeyJHOSSHUYDHVEJO-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.89
Rot. Bonds3

About 4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol

4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 117319735) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID117319735
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCNCC(O)c1c(O)c(C)cc2c1CCO2
InChIInChI=1S/C12H17NO3/c1-7-5-10-8(3-4-16-10)11(12(7)15)9(14)6-13-2/h5,9,13-15H,3-4,6H2,1-2H3
InChIKeyJHOSSHUYDHVEJO-UHFFFAOYSA-N
XLogP0.89
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol
CID 117413072
2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117297221
N-methyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine
CID 116986337
1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)-2-(methylamino)ethanol
CID 84773128
1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanol
CID 117364300
2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol
CID 84677134
1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117499843
3-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-5-methylbenzene-1,2-diol
CID 117335501
4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 137007271
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
CID 117301901
6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
CID 84806395
2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol
CID 84793313

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol (CID 117319735) is 4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol is CNCC(O)c1c(O)c(C)cc2c1CCO2.
What is the InChIKey of 4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is JHOSSHUYDHVEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-7-5-10-8(3-4-16-10)11(12(7)15)9(14)6-13-2/h5,9,13-15H,3-4,6H2,1-2H3.
What are the key properties of 4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol?
4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 223.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 117319735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).