2-(7-chloroindol-1-yl)-N-ethylethanamine

C12H15ClN2 — CID 103474607

IUPAC2-(7-chloroindol-1-yl)-N-ethylethanamine
SMILESCCNCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C12H15ClN2/c1-2-14-7-9-15-8-6-10-4-3-5-11(13)12(10)15/h3-6,8,14H,2,7,9H2,1H3
InChIKeyRVYJWHGLJPCQFZ-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.90
Rot. Bonds4

About 2-(7-chloroindol-1-yl)-N-ethylethanamine

2-(7-chloroindol-1-yl)-N-ethylethanamine (PubChem CID 103474607) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-(7-chloroindol-1-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(7-chloroindol-1-yl)-N-ethylethanamine
PubChem CID103474607
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-(7-chloroindol-1-yl)-N-ethylethanamine
SMILESCCNCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C12H15ClN2/c1-2-14-7-9-15-8-6-10-4-3-5-11(13)12(10)15/h3-6,8,14H,2,7,9H2,1H3
InChIKeyRVYJWHGLJPCQFZ-UHFFFAOYSA-N
XLogP2.90
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(7-chloroindol-1-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

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroindol-1-yl)-N-ethylethanamine?
The IUPAC name of 2-(7-chloroindol-1-yl)-N-ethylethanamine (CID 103474607) is 2-(7-chloroindol-1-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(7-chloroindol-1-yl)-N-ethylethanamine?
The canonical SMILES for 2-(7-chloroindol-1-yl)-N-ethylethanamine is CCNCCn1ccc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloroindol-1-yl)-N-ethylethanamine?
The InChIKey is RVYJWHGLJPCQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-2-14-7-9-15-8-6-10-4-3-5-11(13)12(10)15/h3-6,8,14H,2,7,9H2,1H3.
What are the key properties of 2-(7-chloroindol-1-yl)-N-ethylethanamine?
2-(7-chloroindol-1-yl)-N-ethylethanamine has a molecular weight of 222.72 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroindol-1-yl)-N-ethylethanamine is sourced from PubChem (CID 103474607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).