2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol

C11H13NO2 — CID 112545642

IUPAC2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol
SMILESCc1ccc2c(O)c(CCN)oc2c1
InChIInChI=1S/C11H13NO2/c1-7-2-3-8-10(6-7)14-9(4-5-12)11(8)13/h2-3,6,13H,4-5,12H2,1H3
InChIKeyXTGOJVJUQSMICR-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.95
Rot. Bonds2

About 2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol

2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol (PubChem CID 112545642) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol
PubChem CID112545642
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol
SMILESCc1ccc2c(O)c(CCN)oc2c1
InChIInChI=1S/C11H13NO2/c1-7-2-3-8-10(6-7)14-9(4-5-12)11(8)13/h2-3,6,13H,4-5,12H2,1H3
InChIKeyXTGOJVJUQSMICR-UHFFFAOYSA-N
XLogP1.95
TPSA59.39 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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
2-tert-butyl-3,6-dimethyl-1-benzofuran
CID 164777392
2-(2-aminoethyl)-5-methylphenol
CID 55254754
acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide
CID 23621309
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
7,9-dihydroxy-3-methylbenzo[c]chromen-6-one
CID 167630896
3-(6-methyl-1-benzofuran-2-yl)propan-1-amine
CID 82504582
4-hydroxy-3-[(4-hydroxy-7-methyl-2-oxochromen-3-yl)-(4-methoxyphenyl)methyl]-7-methylchromen-2-one
CID 54704455
actinium;6-methyl-1-benzofuran-3-ol
CID 59083990
1-hydroxy-6-methylxanthen-9-one
CID 13031893
2-ethyl-5-methyl-1-benzofuran-3-amine
CID 82372673
ethyl 7-chloro-4-hydroxy-2-oxochromene-3-carboxylate
CID 54734584

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol?
The IUPAC name of 2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol (CID 112545642) is 2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol.
What is the SMILES notation for 2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol?
The canonical SMILES for 2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol is Cc1ccc2c(O)c(CCN)oc2c1.
What is the InChIKey of 2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol?
The InChIKey is XTGOJVJUQSMICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-2-3-8-10(6-7)14-9(4-5-12)11(8)13/h2-3,6,13H,4-5,12H2,1H3.
What are the key properties of 2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol?
2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol has a molecular weight of 191.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol is sourced from PubChem (CID 112545642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).