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

C13H14BrFN2 — CID 79101628

IUPAC1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1Cc1cc(Br)ccc1F
InChIInChI=1S/C13H14BrFN2/c1-9(16)13-3-2-6-17(13)8-10-7-11(14)4-5-12(10)15/h2-7,9H,8,16H2,1H3
InChIKeyGQIAQSXOHHDYQR-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.46
Rot. Bonds3

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

1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 79101628) has the molecular formula C13H14BrFN2 and a molecular weight of 297.17 g/mol. Its IUPAC name is 1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
PubChem CID79101628
Molecular FormulaC13H14BrFN2
Molecular Weight297.17 g/mol
Exact Mass296.03
IUPAC Name1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1Cc1cc(Br)ccc1F
InChIInChI=1S/C13H14BrFN2/c1-9(16)13-3-2-6-17(13)8-10-7-11(14)4-5-12(10)15/h2-7,9H,8,16H2,1H3
InChIKeyGQIAQSXOHHDYQR-UHFFFAOYSA-N
XLogP3.46
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 55035567
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402923
1-[(5-bromo-2-fluorophenyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017850
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102049
1-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 63812366
N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222710
4-[(5-bromo-2-fluorophenyl)methylsulfanyl]butan-2-amine
CID 66234398
5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 47214230
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine
CID 66409261
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108923
1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55170113
[1-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647471

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine (CID 79101628) is 1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine is CC(N)c1cccn1Cc1cc(Br)ccc1F.
What is the InChIKey of 1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is GQIAQSXOHHDYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2/c1-9(16)13-3-2-6-17(13)8-10-7-11(14)4-5-12(10)15/h2-7,9H,8,16H2,1H3.
What are the key properties of 1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine?
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 297.17 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79101628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).