2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine

C17H22N2S — CID 106012227

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccc(CNCCC2CNc3ccccc32)s1
InChIInChI=1S/C17H22N2S/c1-2-14-7-8-15(20-14)12-18-10-9-13-11-19-17-6-4-3-5-16(13)17/h3-8,13,18-19H,2,9-12H2,1H3
InChIKeyNLXIJYJKQUUBHA-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.00
Rot. Bonds6

About 2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine

2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 106012227) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID106012227
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccc(CNCCC2CNc3ccccc32)s1
InChIInChI=1S/C17H22N2S/c1-2-14-7-8-15(20-14)12-18-10-9-13-11-19-17-6-4-3-5-16(13)17/h3-8,13,18-19H,2,9-12H2,1H3
InChIKeyNLXIJYJKQUUBHA-UHFFFAOYSA-N
XLogP4.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine
CID 80577286
2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine
CID 80577253
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
CID 115568760
2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 80577045
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 80577041
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-ethylcyclobutan-1-amine
CID 113488821
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide
CID 89199878
3-[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]propane-1-sulfonic acid
CID 89053468
N-(dicyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanamine
CID 80577004
N-butylbutan-1-amine;3-butyl-2,3-dihydro-1H-indole;2-chlorobutane
CID 70573589
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide
CID 43125233
3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106008268

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine (CID 106012227) is 2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine is CCc1ccc(CNCCC2CNc3ccccc32)s1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is NLXIJYJKQUUBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-14-7-8-15(20-14)12-18-10-9-13-11-19-17-6-4-3-5-16(13)17/h3-8,13,18-19H,2,9-12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 106012227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).