5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine

C15H18N2S — CID 83213120

IUPAC5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(CCc1ccsc1)CC2
InChIInChI=1S/C15H18N2S/c1-11-8-13-3-6-17(15(13)9-14(11)16)5-2-12-4-7-18-10-12/h4,7-10H,2-3,5-6,16H2,1H3
InChIKeyPEIXFNQMTFQAAA-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.24
Rot. Bonds3

About 5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine

5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine (PubChem CID 83213120) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine
PubChem CID83213120
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(CCc1ccsc1)CC2
InChIInChI=1S/C15H18N2S/c1-11-8-13-3-6-17(15(13)9-14(11)16)5-2-12-4-7-18-10-12/h4,7-10H,2-3,5-6,16H2,1H3
InChIKeyPEIXFNQMTFQAAA-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine?
The IUPAC name of 5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine (CID 83213120) is 5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine.
What is the SMILES notation for 5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine?
The canonical SMILES for 5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(CCc1ccsc1)CC2.
What is the InChIKey of 5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine?
The InChIKey is PEIXFNQMTFQAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-8-13-3-6-17(15(13)9-14(11)16)5-2-12-4-7-18-10-12/h4,7-10H,2-3,5-6,16H2,1H3.
What are the key properties of 5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine?
5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine has a molecular weight of 258.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83213120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).