1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine

C11H13BrN2S — CID 66400760

IUPAC1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine
SMILESCNCc1cccn1Cc1sccc1Br
InChIInChI=1S/C11H13BrN2S/c1-13-7-9-3-2-5-14(9)8-11-10(12)4-6-15-11/h2-6,13H,7-8H2,1H3
InChIKeyYJEQQYCVHSOKJF-UHFFFAOYSA-N
MW285.21 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine

1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine (PubChem CID 66400760) has the molecular formula C11H13BrN2S and a molecular weight of 285.21 g/mol. Its IUPAC name is 1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine
PubChem CID66400760
Molecular FormulaC11H13BrN2S
Molecular Weight285.21 g/mol
Exact Mass284.00
IUPAC Name1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine
SMILESCNCc1cccn1Cc1sccc1Br
InChIInChI=1S/C11H13BrN2S/c1-13-7-9-3-2-5-14(9)8-11-10(12)4-6-15-11/h2-6,13H,7-8H2,1H3
InChIKeyYJEQQYCVHSOKJF-UHFFFAOYSA-N
XLogP3.08
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine (CID 66400760) is 1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine is CNCc1cccn1Cc1sccc1Br.
What is the InChIKey of 1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine?
The InChIKey is YJEQQYCVHSOKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S/c1-13-7-9-3-2-5-14(9)8-11-10(12)4-6-15-11/h2-6,13H,7-8H2,1H3.
What are the key properties of 1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine?
1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine has a molecular weight of 285.21 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 66400760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).