2-[2-(methylamino)ethyl]-1H-indole-4,5-diol

C11H14N2O2 — CID 71291425

IUPAC2-[2-(methylamino)ethyl]-1H-indole-4,5-diol
SMILESCNCCc1cc2c(O)c(O)ccc2[nH]1
InChIInChI=1S/C11H14N2O2/c1-12-5-4-7-6-8-9(13-7)2-3-10(14)11(8)15/h2-3,6,12-15H,4-5H2,1H3
InChIKeyQLFWPUOMBFSTRK-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.34
Rot. Bonds3

About 2-[2-(methylamino)ethyl]-1H-indole-4,5-diol

2-[2-(methylamino)ethyl]-1H-indole-4,5-diol (PubChem CID 71291425) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-1H-indole-4,5-diol.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-1H-indole-4,5-diol
PubChem CID71291425
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-[2-(methylamino)ethyl]-1H-indole-4,5-diol
SMILESCNCCc1cc2c(O)c(O)ccc2[nH]1
InChIInChI=1S/C11H14N2O2/c1-12-5-4-7-6-8-9(13-7)2-3-10(14)11(8)15/h2-3,6,12-15H,4-5H2,1H3
InChIKeyQLFWPUOMBFSTRK-UHFFFAOYSA-N
XLogP1.34
TPSA68.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-1H-indole-4,5-diol?
The IUPAC name of 2-[2-(methylamino)ethyl]-1H-indole-4,5-diol (CID 71291425) is 2-[2-(methylamino)ethyl]-1H-indole-4,5-diol.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-1H-indole-4,5-diol?
The canonical SMILES for 2-[2-(methylamino)ethyl]-1H-indole-4,5-diol is CNCCc1cc2c(O)c(O)ccc2[nH]1.
What is the InChIKey of 2-[2-(methylamino)ethyl]-1H-indole-4,5-diol?
The InChIKey is QLFWPUOMBFSTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-12-5-4-7-6-8-9(13-7)2-3-10(14)11(8)15/h2-3,6,12-15H,4-5H2,1H3.
What are the key properties of 2-[2-(methylamino)ethyl]-1H-indole-4,5-diol?
2-[2-(methylamino)ethyl]-1H-indole-4,5-diol has a molecular weight of 206.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-1H-indole-4,5-diol is sourced from PubChem (CID 71291425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).