3-(2-aminoethyl)-2-methyl-1H-indol-5-ol

C11H14N2O — CID 1574

IUPAC3-(2-aminoethyl)-2-methyl-1H-indol-5-ol
SMILESCc1[nH]c2ccc(O)cc2c1CCN
InChIInChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
InChIKeyWYWNEDARFVJQSG-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.68
Rot. Bonds2

About 3-(2-aminoethyl)-2-methyl-1H-indol-5-ol

3-(2-aminoethyl)-2-methyl-1H-indol-5-ol (PubChem CID 1574) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-methyl-1H-indol-5-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-methyl-1H-indol-5-ol
PubChem CID1574
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(2-aminoethyl)-2-methyl-1H-indol-5-ol
SMILESCc1[nH]c2ccc(O)cc2c1CCN
InChIInChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
InChIKeyWYWNEDARFVJQSG-UHFFFAOYSA-N
XLogP1.68
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-methyl-1H-indol-5-ol?
The IUPAC name of 3-(2-aminoethyl)-2-methyl-1H-indol-5-ol (CID 1574) is 3-(2-aminoethyl)-2-methyl-1H-indol-5-ol.
What is the SMILES notation for 3-(2-aminoethyl)-2-methyl-1H-indol-5-ol?
The canonical SMILES for 3-(2-aminoethyl)-2-methyl-1H-indol-5-ol is Cc1[nH]c2ccc(O)cc2c1CCN.
What is the InChIKey of 3-(2-aminoethyl)-2-methyl-1H-indol-5-ol?
The InChIKey is WYWNEDARFVJQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3.
What are the key properties of 3-(2-aminoethyl)-2-methyl-1H-indol-5-ol?
3-(2-aminoethyl)-2-methyl-1H-indol-5-ol has a molecular weight of 190.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-methyl-1H-indol-5-ol is sourced from PubChem (CID 1574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).