1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine

C15H16N2S — CID 79102220

IUPAC1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1Cc1csc2ccccc12
InChIInChI=1S/C15H16N2S/c1-11(16)14-6-4-8-17(14)9-12-10-18-15-7-3-2-5-13(12)15/h2-8,10-11H,9,16H2,1H3
InChIKeyPTEZRXDWRULOAU-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.77
Rot. Bonds3

About 1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine

1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine (PubChem CID 79102220) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine
PubChem CID79102220
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1Cc1csc2ccccc12
InChIInChI=1S/C15H16N2S/c1-11(16)14-6-4-8-17(14)9-12-10-18-15-7-3-2-5-13(12)15/h2-8,10-11H,9,16H2,1H3
InChIKeyPTEZRXDWRULOAU-UHFFFAOYSA-N
XLogP3.77
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-ylmethyl)pyrrole-2-carboxylic acid
CID 79114183
1-(1-benzothiophen-3-ylmethyl)pyridin-2-one
CID 116618456
N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66401918
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
5-(1-benzothiophen-3-yl)-3-methylpentan-1-amine
CID 65300535
3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 63738810
1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
CID 102856756
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
(1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine
CID 129369862
[4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol
CID 113365936
3-(2-methyl-3-phenylpropyl)-1-benzothiophene
CID 4715035

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine?
The IUPAC name of 1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine (CID 79102220) is 1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for 1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine is CC(N)c1cccn1Cc1csc2ccccc12.
What is the InChIKey of 1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine?
The InChIKey is PTEZRXDWRULOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-11(16)14-6-4-8-17(14)9-12-10-18-15-7-3-2-5-13(12)15/h2-8,10-11H,9,16H2,1H3.
What are the key properties of 1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine?
1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine has a molecular weight of 256.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).