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

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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).