2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine

C13H17ClN2 — CID 82496893

IUPAC2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
SMILESCCNCCc1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2/c1-3-15-7-6-11-9(2)16-13-5-4-10(14)8-12(11)13/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyCHTFVJCZHWGJMZ-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.28
Rot. Bonds4

About 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine (PubChem CID 82496893) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
PubChem CID82496893
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
SMILESCCNCCc1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2/c1-3-15-7-6-11-9(2)16-13-5-4-10(14)8-12(11)13/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyCHTFVJCZHWGJMZ-UHFFFAOYSA-N
XLogP3.28
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(6-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496918
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
CID 113086048
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
CID 113086047
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 45497559
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;dihydrochloride
CID 71779188
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 91833579
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 72842739
4-bromo-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086005
2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine
CID 12758180
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine (CID 82496893) is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine is CCNCCc1c(C)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine?
The InChIKey is CHTFVJCZHWGJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-3-15-7-6-11-9(2)16-13-5-4-10(14)8-12(11)13/h4-5,8,15-16H,3,6-7H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine?
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine has a molecular weight of 236.75 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine is sourced from PubChem (CID 82496893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).