2-(aminomethyl)-4-methyl-1-benzofuran-7-ol

C10H11NO2 — CID 105436813

IUPAC2-(aminomethyl)-4-methyl-1-benzofuran-7-ol
SMILESCc1ccc(O)c2oc(CN)cc12
InChIInChI=1S/C10H11NO2/c1-6-2-3-9(12)10-8(6)4-7(5-11)13-10/h2-4,12H,5,11H2,1H3
InChIKeyMSBABJOCRSKWCW-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.91
Rot. Bonds1

About 2-(aminomethyl)-4-methyl-1-benzofuran-7-ol

2-(aminomethyl)-4-methyl-1-benzofuran-7-ol (PubChem CID 105436813) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-1-benzofuran-7-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-1-benzofuran-7-ol
PubChem CID105436813
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(aminomethyl)-4-methyl-1-benzofuran-7-ol
SMILESCc1ccc(O)c2oc(CN)cc12
InChIInChI=1S/C10H11NO2/c1-6-2-3-9(12)10-8(6)4-7(5-11)13-10/h2-4,12H,5,11H2,1H3
InChIKeyMSBABJOCRSKWCW-UHFFFAOYSA-N
XLogP1.91
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-1-benzofuran-7-ol?
The IUPAC name of 2-(aminomethyl)-4-methyl-1-benzofuran-7-ol (CID 105436813) is 2-(aminomethyl)-4-methyl-1-benzofuran-7-ol.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-1-benzofuran-7-ol?
The canonical SMILES for 2-(aminomethyl)-4-methyl-1-benzofuran-7-ol is Cc1ccc(O)c2oc(CN)cc12.
What is the InChIKey of 2-(aminomethyl)-4-methyl-1-benzofuran-7-ol?
The InChIKey is MSBABJOCRSKWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-2-3-9(12)10-8(6)4-7(5-11)13-10/h2-4,12H,5,11H2,1H3.
What are the key properties of 2-(aminomethyl)-4-methyl-1-benzofuran-7-ol?
2-(aminomethyl)-4-methyl-1-benzofuran-7-ol has a molecular weight of 177.20 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-1-benzofuran-7-ol is sourced from PubChem (CID 105436813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).