5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline

C11H14BrFN2 — CID 66110125

IUPAC5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline
SMILESCC1CCCN1c1cc(F)c(Br)cc1N
InChIInChI=1S/C11H14BrFN2/c1-7-3-2-4-15(7)11-6-9(13)8(12)5-10(11)14/h5-7H,2-4,14H2,1H3
InChIKeyRGEKPKOPXZASST-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.16
Rot. Bonds1

About 5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline

5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline (PubChem CID 66110125) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline
PubChem CID66110125
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline
SMILESCC1CCCN1c1cc(F)c(Br)cc1N
InChIInChI=1S/C11H14BrFN2/c1-7-3-2-4-15(7)11-6-9(13)8(12)5-10(11)14/h5-7H,2-4,14H2,1H3
InChIKeyRGEKPKOPXZASST-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-fluoro-2-[(2R)-2-methylpyrrolidin-1-yl]aniline
CID 168927625
4-bromo-2-(2,3-dimethylpiperidin-1-yl)-5-fluoroaniline
CID 116735820
5-bromo-4-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 66112236
4-bromo-5-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)aniline
CID 116736061
1-(2-amino-5-bromo-4-fluorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 116735536
4,5-dimethoxy-2-(2-methylpyrrolidin-1-yl)aniline
CID 83001444
2-(azocan-1-yl)-5-bromo-4-fluoroaniline
CID 66110484
4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 94675572
4-bromo-5-fluoro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)aniline
CID 116736108
5-bromo-4-fluoro-2-(4-propylazepan-1-yl)aniline
CID 66111343
4-bromo-5-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 116735269
5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline
CID 66110674

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline?
The IUPAC name of 5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline (CID 66110125) is 5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline is CC1CCCN1c1cc(F)c(Br)cc1N.
What is the InChIKey of 5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline?
The InChIKey is RGEKPKOPXZASST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c1-7-3-2-4-15(7)11-6-9(13)8(12)5-10(11)14/h5-7H,2-4,14H2,1H3.
What are the key properties of 5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline?
5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline has a molecular weight of 273.15 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 66110125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).