1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine

C13H15BrN2 — CID 79103009

IUPAC1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1Cc1ccccc1Br
InChIInChI=1S/C13H15BrN2/c1-10(15)13-7-4-8-16(13)9-11-5-2-3-6-12(11)14/h2-8,10H,9,15H2,1H3
InChIKeyUPDQHIYJGGCVGR-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.32
Rot. Bonds3

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

1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 79103009) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine
PubChem CID79103009
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1Cc1ccccc1Br
InChIInChI=1S/C13H15BrN2/c1-10(15)13-7-4-8-16(13)9-11-5-2-3-6-12(11)14/h2-8,10H,9,15H2,1H3
InChIKeyUPDQHIYJGGCVGR-UHFFFAOYSA-N
XLogP3.32
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79101628
1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
CID 102856756
1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102220
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66403749
3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one
CID 62102931
[4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol
CID 113365936
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402822
1-[1-[(5-chlorothiophen-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102325
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102418
3-bromo-1-[(2-methylphenyl)methyl]pyridin-2-one
CID 114761203
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
CID 79103011
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66403032

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine (CID 79103009) is 1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine is CC(N)c1cccn1Cc1ccccc1Br.
What is the InChIKey of 1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is UPDQHIYJGGCVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-10(15)13-7-4-8-16(13)9-11-5-2-3-6-12(11)14/h2-8,10H,9,15H2,1H3.
What are the key properties of 1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine?
1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 279.18 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79103009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).