2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine

C11H12Cl2N2 — CID 1381961

IUPAC2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2cc(Cl)cc(Cl)c2c1CCN
InChIInChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3
InChIKeyJCTJISIFGZHOFY-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.28
Rot. Bonds2

About 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine

2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 1381961) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine
PubChem CID1381961
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2cc(Cl)cc(Cl)c2c1CCN
InChIInChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3
InChIKeyJCTJISIFGZHOFY-UHFFFAOYSA-N
XLogP3.28
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine 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 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine (CID 1381961) is 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine is Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN.
What is the InChIKey of 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is JCTJISIFGZHOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3.
What are the key properties of 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine?
2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 243.14 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 1381961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).