3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid

C14H18N2O2 — CID 83946328

IUPAC3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid
SMILESCCn1cc(CCN)c2ccc(C)c(C(=O)O)c21
InChIInChI=1S/C14H18N2O2/c1-3-16-8-10(6-7-15)11-5-4-9(2)12(13(11)16)14(17)18/h4-5,8H,3,6-7,15H2,1-2H3,(H,17,18)
InChIKeyHAESKCDIXPQCEB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.17
Rot. Bonds4

About 3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid

3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid (PubChem CID 83946328) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid
PubChem CID83946328
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid
SMILESCCn1cc(CCN)c2ccc(C)c(C(=O)O)c21
InChIInChI=1S/C14H18N2O2/c1-3-16-8-10(6-7-15)11-5-4-9(2)12(13(11)16)14(17)18/h4-5,8H,3,6-7,15H2,1-2H3,(H,17,18)
InChIKeyHAESKCDIXPQCEB-UHFFFAOYSA-N
XLogP2.17
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid (CID 83946328) is 3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid is CCn1cc(CCN)c2ccc(C)c(C(=O)O)c21.
What is the InChIKey of 3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid?
The InChIKey is HAESKCDIXPQCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-16-8-10(6-7-15)11-5-4-9(2)12(13(11)16)14(17)18/h4-5,8H,3,6-7,15H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid?
3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid is sourced from PubChem (CID 83946328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).