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

C12H12BrFN2 — CID 62130636

IUPAC5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCn1cccc1CNc1cc(Br)ccc1F
InChIInChI=1S/C12H12BrFN2/c1-16-6-2-3-10(16)8-15-12-7-9(13)4-5-11(12)14/h2-7,15H,8H2,1H3
InChIKeyFWHJKUMEUMNIEV-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.54
Rot. Bonds3

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

5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline (PubChem CID 62130636) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
PubChem CID62130636
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCn1cccc1CNc1cc(Br)ccc1F
InChIInChI=1S/C12H12BrFN2/c1-16-6-2-3-10(16)8-15-12-7-9(13)4-5-11(12)14/h2-7,15H,8H2,1H3
InChIKeyFWHJKUMEUMNIEV-UHFFFAOYSA-N
XLogP3.54
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 55039471
4-bromo-2-[(1-methylpyrrol-2-yl)methylamino]benzonitrile
CID 107797406
5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117863
N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide
CID 55039179
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28877405
5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline
CID 63423742
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876782
5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline
CID 43555430
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoroaniline
CID 79579398
1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115222052
2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132406
5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132956

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline (CID 62130636) is 5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline is Cn1cccc1CNc1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The InChIKey is FWHJKUMEUMNIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c1-16-6-2-3-10(16)8-15-12-7-9(13)4-5-11(12)14/h2-7,15H,8H2,1H3.
What are the key properties of 5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline has a molecular weight of 283.14 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 62130636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).