1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine

C16H21NS — CID 115863688

IUPAC1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
SMILESCCNC(CC1CCC1)c1cc2ccccc2s1
InChIInChI=1S/C16H21NS/c1-2-17-14(10-12-6-5-7-12)16-11-13-8-3-4-9-15(13)18-16/h3-4,8-9,11-12,14,17H,2,5-7,10H2,1H3
InChIKeyFRCATPCFKKDBKC-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.74
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine

1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine (PubChem CID 115863688) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
PubChem CID115863688
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
SMILESCCNC(CC1CCC1)c1cc2ccccc2s1
InChIInChI=1S/C16H21NS/c1-2-17-14(10-12-6-5-7-12)16-11-13-8-3-4-9-15(13)18-16/h3-4,8-9,11-12,14,17H,2,5-7,10H2,1H3
InChIKeyFRCATPCFKKDBKC-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-benzothiophen-2-yl)-2-cyclopentylethyl]hydrazine
CID 105299057
1-(1-benzothiophen-2-yl)-2-cyclobutylethanol
CID 115802429
N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine
CID 105138906
1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine
CID 115835557
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine
CID 102827632
N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
CID 105027903
1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 63527754
1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991075
2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115863822
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 102827664
1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115847850
1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
CID 114980128

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine (CID 115863688) is 1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine is CCNC(CC1CCC1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine?
The InChIKey is FRCATPCFKKDBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-2-17-14(10-12-6-5-7-12)16-11-13-8-3-4-9-15(13)18-16/h3-4,8-9,11-12,14,17H,2,5-7,10H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine?
1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine is sourced from PubChem (CID 115863688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).