2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine

C12H13BrN2 — CID 82304023

IUPAC2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine
SMILESNCCc1ccn(-c2ccccc2Br)c1
InChIInChI=1S/C12H13BrN2/c13-11-3-1-2-4-12(11)15-8-6-10(9-15)5-7-14/h1-4,6,8-9H,5,7,14H2
InChIKeyOAJPTOQECZZQEU-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.74
Rot. Bonds3

About 2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine

2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine (PubChem CID 82304023) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine
PubChem CID82304023
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine
SMILESNCCc1ccn(-c2ccccc2Br)c1
InChIInChI=1S/C12H13BrN2/c13-11-3-1-2-4-12(11)15-8-6-10(9-15)5-7-14/h1-4,6,8-9H,5,7,14H2
InChIKeyOAJPTOQECZZQEU-UHFFFAOYSA-N
XLogP2.74
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]ethanamine
CID 82284563
2-[1-(4-chlorophenyl)pyrrol-3-yl]ethanamine
CID 82286450
2-[2-(2-bromophenyl)pyrazol-3-yl]ethanamine
CID 83902451
2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117123584
2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489373
3-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79224848
azane;2-phenylethanamine
CID 23506485
2-(1-propylpyrrol-3-yl)ethanamine
CID 66405428
(2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
CID 99964990
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine
CID 66405437
2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine
CID 84653816
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine (CID 82304023) is 2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine is NCCc1ccn(-c2ccccc2Br)c1.
What is the InChIKey of 2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine?
The InChIKey is OAJPTOQECZZQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-11-3-1-2-4-12(11)15-8-6-10(9-15)5-7-14/h1-4,6,8-9H,5,7,14H2.
What are the key properties of 2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine?
2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine has a molecular weight of 265.15 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 82304023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).