2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

C13H18BrFN2 — CID 107633006

IUPAC2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1cc(F)ccc1Br
InChIInChI=1S/C13H18BrFN2/c1-9(7-11-3-2-6-16-11)17-13-8-10(15)4-5-12(13)14/h4-5,8-9,11,16-17H,2-3,6-7H2,1H3
InChIKeyARLLSJGUZUSCNA-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.53
Rot. Bonds4

About 2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (PubChem CID 107633006) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
PubChem CID107633006
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1cc(F)ccc1Br
InChIInChI=1S/C13H18BrFN2/c1-9(7-11-3-2-6-16-11)17-13-8-10(15)4-5-12(13)14/h4-5,8-9,11,16-17H,2-3,6-7H2,1H3
InChIKeyARLLSJGUZUSCNA-UHFFFAOYSA-N
XLogP3.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107527335
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
4-bromo-3-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540717
4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 79540658
5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 79541568
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 79541571
4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
N-[1-(azepan-2-yl)propan-2-yl]-4-bromo-2,3-dichloroaniline
CID 107788121
2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541024
4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79535891
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-4-methylaniline
CID 79552971

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (CID 107633006) is 2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is CC(CC1CCCN1)Nc1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The InChIKey is ARLLSJGUZUSCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-9(7-11-3-2-6-16-11)17-13-8-10(15)4-5-12(13)14/h4-5,8-9,11,16-17H,2-3,6-7H2,1H3.
What are the key properties of 2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline has a molecular weight of 301.20 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 107633006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).