5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline

C13H15BrN2O — CID 55039471

IUPAC5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCOc1ccc(Br)cc1NCc1cccn1C
InChIInChI=1S/C13H15BrN2O/c1-16-7-3-4-11(16)9-15-12-8-10(14)5-6-13(12)17-2/h3-8,15H,9H2,1-2H3
InChIKeyUIMVUJPZOACERG-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.41
Rot. Bonds4

About 5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline

5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline (PubChem CID 55039471) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
PubChem CID55039471
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCOc1ccc(Br)cc1NCc1cccn1C
InChIInChI=1S/C13H15BrN2O/c1-16-7-3-4-11(16)9-15-12-8-10(14)5-6-13(12)17-2/h3-8,15H,9H2,1-2H3
InChIKeyUIMVUJPZOACERG-UHFFFAOYSA-N
XLogP3.41
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877385
5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62130636
4-bromo-2-[(1-methylpyrrol-2-yl)methylamino]benzonitrile
CID 107797406
5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555647
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503
5-bromo-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 54968048
5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132956
5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63456234
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
CID 61060847

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline (CID 55039471) is 5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline is COc1ccc(Br)cc1NCc1cccn1C.
What is the InChIKey of 5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The InChIKey is UIMVUJPZOACERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-16-7-3-4-11(16)9-15-12-8-10(14)5-6-13(12)17-2/h3-8,15H,9H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline has a molecular weight of 295.18 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 55039471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).