1-[(3-bromophenyl)methyl]-2-ethylpyrrole

C13H14BrN — CID 141433599

IUPAC1-[(3-bromophenyl)methyl]-2-ethylpyrrole
SMILESCCc1cccn1Cc1cccc(Br)c1
InChIInChI=1S/C13H14BrN/c1-2-13-7-4-8-15(13)10-11-5-3-6-12(14)9-11/h3-9H,2,10H2,1H3
InChIKeyYEIOSUIHBSRREH-UHFFFAOYSA-N
MW264.17 g/mol
LogP3.86
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-2-ethylpyrrole

1-[(3-bromophenyl)methyl]-2-ethylpyrrole (PubChem CID 141433599) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-2-ethylpyrrole.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-2-ethylpyrrole
PubChem CID141433599
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name1-[(3-bromophenyl)methyl]-2-ethylpyrrole
SMILESCCc1cccn1Cc1cccc(Br)c1
InChIInChI=1S/C13H14BrN/c1-2-13-7-4-8-15(13)10-11-5-3-6-12(14)9-11/h3-9H,2,10H2,1H3
InChIKeyYEIOSUIHBSRREH-UHFFFAOYSA-N
XLogP3.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromophenyl)methyl]-2-chloropyrrole
CID 141433576
1-[(3-bromophenyl)methyl]-2-ethylimidazole
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[3-[(2-ethylpyrrol-1-yl)methyl]phenyl]urea
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1-[(3-bromophenyl)methyl]-5-ethylpyrimidine-2,4-dione
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CID 158533972
1-bromo-3-ethylbenzene;ethane
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CID 22256844
N-[[1-[(3-bromo-5-fluorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 79702420
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66403702
1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018015
1-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 79702419
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 42761700

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-2-ethylpyrrole?
The IUPAC name of 1-[(3-bromophenyl)methyl]-2-ethylpyrrole (CID 141433599) is 1-[(3-bromophenyl)methyl]-2-ethylpyrrole.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-2-ethylpyrrole?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-2-ethylpyrrole is CCc1cccn1Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-2-ethylpyrrole?
The InChIKey is YEIOSUIHBSRREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c1-2-13-7-4-8-15(13)10-11-5-3-6-12(14)9-11/h3-9H,2,10H2,1H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-2-ethylpyrrole?
1-[(3-bromophenyl)methyl]-2-ethylpyrrole has a molecular weight of 264.17 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-2-ethylpyrrole is sourced from PubChem (CID 141433599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).