2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine

C15H18N2S — CID 115287646

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine
SMILESCC1Cc2ccccc2N1CC(N)c1cccs1
InChIInChI=1S/C15H18N2S/c1-11-9-12-5-2-3-6-14(12)17(11)10-13(16)15-7-4-8-18-15/h2-8,11,13H,9-10,16H2,1H3
InChIKeyXAKOOLGIUPOMFD-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.20
Rot. Bonds3

About 2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine

2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine (PubChem CID 115287646) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine
PubChem CID115287646
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine
SMILESCC1Cc2ccccc2N1CC(N)c1cccs1
InChIInChI=1S/C15H18N2S/c1-11-9-12-5-2-3-6-14(12)17(11)10-13(16)15-7-4-8-18-15/h2-8,11,13H,9-10,16H2,1H3
InChIKeyXAKOOLGIUPOMFD-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine 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-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine (CID 115287646) is 2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine is CC1Cc2ccccc2N1CC(N)c1cccs1.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine?
The InChIKey is XAKOOLGIUPOMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-9-12-5-2-3-6-14(12)17(11)10-13(16)15-7-4-8-18-15/h2-8,11,13H,9-10,16H2,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine?
2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine has a molecular weight of 258.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 115287646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).