1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine

C14H19NS — CID 43492291

IUPAC1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1csc2ccccc12
InChIInChI=1S/C14H19NS/c1-3-7-13(15-4-2)12-10-16-14-9-6-5-8-11(12)14/h5-6,8-10,13,15H,3-4,7H2,1-2H3
InChIKeyOZHUOAVSIURQRJ-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.35
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine

1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine (PubChem CID 43492291) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
PubChem CID43492291
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1csc2ccccc12
InChIInChI=1S/C14H19NS/c1-3-7-13(15-4-2)12-10-16-14-9-6-5-8-11(12)14/h5-6,8-10,13,15H,3-4,7H2,1-2H3
InChIKeyOZHUOAVSIURQRJ-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine
CID 115806692
1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 43492319
1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
CID 43497176
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43492316
1-(7-bromo-1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 81142072
1-(1-benzothiophen-3-yl)-N-propylhex-4-yn-1-amine
CID 105037075
1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 43492293
[1-(1-benzothiophen-3-yl)-3-methylhexyl]hydrazine
CID 105298182
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997202
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065274
1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860702
1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine
CID 105001023

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine (CID 43492291) is 1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine is CCCC(NCC)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine?
The InChIKey is OZHUOAVSIURQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-7-13(15-4-2)12-10-16-14-9-6-5-8-11(12)14/h5-6,8-10,13,15H,3-4,7H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine?
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 43492291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).