2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine

C12H18N2 — CID 744368

IUPAC2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCc2ccccc21
InChIInChI=1S/C12H18N2/c1-13(2)9-10-14-8-7-11-5-3-4-6-12(11)14/h3-6H,7-10H2,1-2H3
InChIKeyBNAWSOWKSSIPGW-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.61
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine

2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine (PubChem CID 744368) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine
PubChem CID744368
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCc2ccccc21
InChIInChI=1S/C12H18N2/c1-13(2)9-10-14-8-7-11-5-3-4-6-12(11)14/h3-6H,7-10H2,1-2H3
InChIKeyBNAWSOWKSSIPGW-UHFFFAOYSA-N
XLogP1.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine 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-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine (CID 744368) is 2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine is CN(C)CCN1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine?
The InChIKey is BNAWSOWKSSIPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-13(2)9-10-14-8-7-11-5-3-4-6-12(11)14/h3-6H,7-10H2,1-2H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine?
2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 744368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).