N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine

C18H21NOS — CID 105021891

IUPACN-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)o1)c1cccc2ccsc12
InChIInChI=1S/C18H21NOS/c1-3-11-19-17(16-9-8-14(4-2)20-16)15-7-5-6-13-10-12-21-18(13)15/h5-10,12,17,19H,3-4,11H2,1-2H3
InChIKeyBFWUKZCXUIRPJG-UHFFFAOYSA-N
MW299.44 g/mol
LogP5.15
Rot. Bonds6

About N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine

N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine (PubChem CID 105021891) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine
PubChem CID105021891
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)o1)c1cccc2ccsc12
InChIInChI=1S/C18H21NOS/c1-3-11-19-17(16-9-8-14(4-2)20-16)15-7-5-6-13-10-12-21-18(13)15/h5-10,12,17,19H,3-4,11H2,1-2H3
InChIKeyBFWUKZCXUIRPJG-UHFFFAOYSA-N
XLogP5.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 81153078
N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105172803
N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
CID 81153084
1-(1-benzothiophen-7-yl)-N-propylpentan-1-amine
CID 81153216
N-[(5-ethylfuran-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 55061752
1-(1-benzothiophen-7-yl)-N-propylheptan-1-amine
CID 105021936
N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 81153718
N-[(2,4-difluorophenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 62345873
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 106861060
1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine
CID 116718196
N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105021865

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine (CID 105021891) is N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(CC)o1)c1cccc2ccsc12.
What is the InChIKey of N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is BFWUKZCXUIRPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-3-11-19-17(16-9-8-14(4-2)20-16)15-7-5-6-13-10-12-21-18(13)15/h5-10,12,17,19H,3-4,11H2,1-2H3.
What are the key properties of N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine?
N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105021891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).