3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine

C16H20N2S — CID 137442813

IUPAC3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNCCC(c1ccsc1)N1CCc2ccccc21
InChIInChI=1S/C16H20N2S/c1-17-9-6-16(14-8-11-19-12-14)18-10-7-13-4-2-3-5-15(13)18/h2-5,8,11-12,16-17H,6-7,9-10H2,1H3
InChIKeyGVXKAJFLBFLWBM-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.46
Rot. Bonds5

About 3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine

3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 137442813) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
PubChem CID137442813
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNCCC(c1ccsc1)N1CCc2ccccc21
InChIInChI=1S/C16H20N2S/c1-17-9-6-16(14-8-11-19-12-14)18-10-7-13-4-2-3-5-15(13)18/h2-5,8,11-12,16-17H,6-7,9-10H2,1H3
InChIKeyGVXKAJFLBFLWBM-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine 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-(3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine
CID 16792564
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine
CID 63404092
(3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine
CID 137443095
3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine
CID 174549485
4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one
CID 82133752
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-methyloxamide
CID 41181013
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide
CID 18577734
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-methoxybenzenesulfonamide
CID 30607015
N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine
CID 83043122
(3S)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 137443103
methyl (4R)-4-(2,3-dihydroindol-1-yl)-2-nitro-4-phenylbutanoate
CID 25001016
2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine
CID 16793061

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine (CID 137442813) is 3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine is CNCCC(c1ccsc1)N1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is GVXKAJFLBFLWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-17-9-6-16(14-8-11-19-12-14)18-10-7-13-4-2-3-5-15(13)18/h2-5,8,11-12,16-17H,6-7,9-10H2,1H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 272.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 137442813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).