2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine

C15H21NS — CID 105138979

IUPAC2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESNC(CC1CCCC1)C1CSc2ccccc21
InChIInChI=1S/C15H21NS/c16-14(9-11-5-1-2-6-11)13-10-17-15-8-4-3-7-12(13)15/h3-4,7-8,11,13-14H,1-2,5-6,9-10,16H2
InChIKeyDQDGVFDRGZLAEV-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.78
Rot. Bonds3

About 2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine

2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine (PubChem CID 105138979) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
PubChem CID105138979
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESNC(CC1CCCC1)C1CSc2ccccc21
InChIInChI=1S/C15H21NS/c16-14(9-11-5-1-2-6-11)13-10-17-15-8-4-3-7-12(13)15/h3-4,7-8,11,13-14H,1-2,5-6,9-10,16H2
InChIKeyDQDGVFDRGZLAEV-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105167906
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 105126981
1-(2,3-dihydro-1-benzothiophen-3-yl)but-3-yn-1-amine
CID 105077457
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine
CID 64984186
1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine
CID 105153134
2-cyclopentyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65405512
[cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methyl]hydrazine
CID 105314544
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-fluorophenyl)ethanamine
CID 105090261
1-(2,3-dihydro-1-benzothiophen-3-yl)heptan-1-amine
CID 105126135
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167162
1-cyclohexyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 105079433
1-cycloheptyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 105176241

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine (CID 105138979) is 2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine is NC(CC1CCCC1)C1CSc2ccccc21.
What is the InChIKey of 2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The InChIKey is DQDGVFDRGZLAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c16-14(9-11-5-1-2-6-11)13-10-17-15-8-4-3-7-12(13)15/h3-4,7-8,11,13-14H,1-2,5-6,9-10,16H2.
What are the key properties of 2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine has a molecular weight of 247.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 105138979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).