2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine

C18H24N2S — CID 82752189

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine
SMILESNCC(c1csc2ccccc12)N1CCC2CCCCC21
InChIInChI=1S/C18H24N2S/c19-11-17(15-12-21-18-8-4-2-6-14(15)18)20-10-9-13-5-1-3-7-16(13)20/h2,4,6,8,12-13,16-17H,1,3,5,7,9-11,19H2
InChIKeyKVBCWPANGGVWLQ-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.17
Rot. Bonds3

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine (PubChem CID 82752189) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine
PubChem CID82752189
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine
SMILESNCC(c1csc2ccccc12)N1CCC2CCCCC21
InChIInChI=1S/C18H24N2S/c19-11-17(15-12-21-18-8-4-2-6-14(15)18)20-10-9-13-5-1-3-7-16(13)20/h2,4,6,8,12-13,16-17H,1,3,5,7,9-11,19H2
InChIKeyKVBCWPANGGVWLQ-UHFFFAOYSA-N
XLogP4.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine 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-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine
CID 82752187
2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 62699247
2-(azepan-1-yl)-2-(1-benzothiophen-3-yl)ethanamine
CID 55108750
1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165928
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(2-bromo-4-chlorophenyl)ethanamine
CID 82747639
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-methylphenyl)ethanamine
CID 82747736
(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
CID 93025479
2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol
CID 116860154
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(2,4-difluorophenyl)ethanamine
CID 102725786
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839817
(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride
CID 171224599
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(2,5-dimethylphenyl)ethanamine
CID 102725788

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine (CID 82752189) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine is NCC(c1csc2ccccc12)N1CCC2CCCCC21.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine?
The InChIKey is KVBCWPANGGVWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c19-11-17(15-12-21-18-8-4-2-6-14(15)18)20-10-9-13-5-1-3-7-16(13)20/h2,4,6,8,12-13,16-17H,1,3,5,7,9-11,19H2.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine has a molecular weight of 300.47 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 82752189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).