1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine

C11H13ClN2S — CID 79102325

IUPAC1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1Cc1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2S/c1-8(13)10-3-2-6-14(10)7-9-4-5-11(12)15-9/h2-6,8H,7,13H2,1H3
InChIKeyOHUUAZHUHMVIBT-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.27
Rot. Bonds3

About 1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine

1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 79102325) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine
PubChem CID79102325
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1Cc1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2S/c1-8(13)10-3-2-6-14(10)7-9-4-5-11(12)15-9/h2-6,8H,7,13H2,1H3
InChIKeyOHUUAZHUHMVIBT-UHFFFAOYSA-N
XLogP3.27
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018025
N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102565
1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102220
1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106575432
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79101628
4-[(1R)-1-aminoethyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 78934665
4-[(5-chlorothiophen-2-yl)methylsulfanyl]butan-2-amine
CID 66233246
1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine
CID 43165363
4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole
CID 116626089
2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105135243
(2R)-2-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 79013048
N-[[3-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149748

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine (CID 79102325) is 1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine is CC(N)c1cccn1Cc1ccc(Cl)s1.
What is the InChIKey of 1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is OHUUAZHUHMVIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-8(13)10-3-2-6-14(10)7-9-4-5-11(12)15-9/h2-6,8H,7,13H2,1H3.
What are the key properties of 1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine?
1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 240.76 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).