1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine

C8H13BrN2 — CID 105470582

IUPAC1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine
SMILESCNC(C)c1cc(Br)n(C)c1
InChIInChI=1S/C8H13BrN2/c1-6(10-2)7-4-8(9)11(3)5-7/h4-6,10H,1-3H3
InChIKeyATSWFOCMQHGKAB-UHFFFAOYSA-N
MW217.11 g/mol
LogP2.07
Rot. Bonds2

About 1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine

1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine (PubChem CID 105470582) has the molecular formula C8H13BrN2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine
PubChem CID105470582
Molecular FormulaC8H13BrN2
Molecular Weight217.11 g/mol
Exact Mass216.03
IUPAC Name1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine
SMILESCNC(C)c1cc(Br)n(C)c1
InChIInChI=1S/C8H13BrN2/c1-6(10-2)7-4-8(9)11(3)5-7/h4-6,10H,1-3H3
InChIKeyATSWFOCMQHGKAB-UHFFFAOYSA-N
XLogP2.07
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine (CID 105470582) is 1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine is CNC(C)c1cc(Br)n(C)c1.
What is the InChIKey of 1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine?
The InChIKey is ATSWFOCMQHGKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2/c1-6(10-2)7-4-8(9)11(3)5-7/h4-6,10H,1-3H3.
What are the key properties of 1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine?
1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine has a molecular weight of 217.11 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine is sourced from PubChem (CID 105470582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).