1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine

C18H21NOS — CID 105116408

IUPAC1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
SMILESCCNC(CCc1ccco1)Cc1csc2ccccc12
InChIInChI=1S/C18H21NOS/c1-2-19-15(9-10-16-6-5-11-20-16)12-14-13-21-18-8-4-3-7-17(14)18/h3-8,11,13,15,19H,2,9-10,12H2,1H3
InChIKeyQOEIZDSCOHYFGY-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.65
Rot. Bonds7

About 1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine

1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine (PubChem CID 105116408) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
PubChem CID105116408
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
SMILESCCNC(CCc1ccco1)Cc1csc2ccccc12
InChIInChI=1S/C18H21NOS/c1-2-19-15(9-10-16-6-5-11-20-16)12-14-13-21-18-8-4-3-7-17(14)18/h3-8,11,13,15,19H,2,9-10,12H2,1H3
InChIKeyQOEIZDSCOHYFGY-UHFFFAOYSA-N
XLogP4.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(furan-2-yl)-1-phenylbutan-2-amine
CID 61064729
N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine
CID 61065495
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 103053051
2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790256
N-ethyl-1-(furan-2-yl)-6-phenylhexan-3-amine
CID 105139753
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
4-(furan-2-yl)-N-methyl-1-naphthalen-1-ylbutan-2-amine
CID 61078586
1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011
1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65138997
1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 63738446
[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105291750
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105162710

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine (CID 105116408) is 1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine is CCNC(CCc1ccco1)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
The InChIKey is QOEIZDSCOHYFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-2-19-15(9-10-16-6-5-11-20-16)12-14-13-21-18-8-4-3-7-17(14)18/h3-8,11,13,15,19H,2,9-10,12H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine?
1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 105116408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).