[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine

C13H15BrN2 — CID 20983267

IUPAC[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine
SMILESCc1cc(CN)c(C)n1-c1ccccc1Br
InChIInChI=1S/C13H15BrN2/c1-9-7-11(8-15)10(2)16(9)13-6-4-3-5-12(13)14/h3-7H,8,15H2,1-2H3
InChIKeyZOEWLDTXHDBMLP-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.32
Rot. Bonds2

About [1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine

[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine (PubChem CID 20983267) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is [1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine
PubChem CID20983267
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine
SMILESCc1cc(CN)c(C)n1-c1ccccc1Br
InChIInChI=1S/C13H15BrN2/c1-9-7-11(8-15)10(2)16(9)13-6-4-3-5-12(13)14/h3-7H,8,15H2,1-2H3
InChIKeyZOEWLDTXHDBMLP-UHFFFAOYSA-N
XLogP3.32
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-1-(2-bromophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119384070
[1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine
CID 82091921
N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 119583586
5-[[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126006291
1-(2-bromophenyl)-6-methylpyrimidine-2,4-dione
CID 27211061
[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 20983273
N-(3-aminobutyl)-1-(2-bromophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119497634
1-(2-bromophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267556
[(Z)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]urea
CID 126002556
(4-aminopiperidin-1-yl)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119375203
[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol
CID 39247985
5-[[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 1279089

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine?
The IUPAC name of [1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine (CID 20983267) is [1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine.
What is the SMILES notation for [1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine?
The canonical SMILES for [1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine is Cc1cc(CN)c(C)n1-c1ccccc1Br.
What is the InChIKey of [1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine?
The InChIKey is ZOEWLDTXHDBMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-9-7-11(8-15)10(2)16(9)13-6-4-3-5-12(13)14/h3-7H,8,15H2,1-2H3.
What are the key properties of [1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine?
[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine has a molecular weight of 279.18 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine is sourced from PubChem (CID 20983267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).