2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

C13H17Br3N2 — CID 79541024

IUPAC2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H17Br3N2/c1-8(5-10-3-2-4-17-10)18-13-11(15)6-9(14)7-12(13)16/h6-8,10,17-18H,2-5H2,1H3
InChIKeyNYNIFQTVFLNBBA-UHFFFAOYSA-N
MW441.01 g/mol
LogP4.92
Rot. Bonds4

About 2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (PubChem CID 79541024) has the molecular formula C13H17Br3N2 and a molecular weight of 441.01 g/mol. Its IUPAC name is 2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
PubChem CID79541024
Molecular FormulaC13H17Br3N2
Molecular Weight441.01 g/mol
Exact Mass437.89
IUPAC Name2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H17Br3N2/c1-8(5-10-3-2-4-17-10)18-13-11(15)6-9(14)7-12(13)16/h6-8,10,17-18H,2-5H2,1H3
InChIKeyNYNIFQTVFLNBBA-UHFFFAOYSA-N
XLogP4.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.01
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540891
4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79536255
3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540116
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-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107633006
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-6-fluoroaniline
CID 107598571
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
5-bromo-2-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 82707999

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (CID 79541024) is 2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is CC(CC1CCCN1)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The InChIKey is NYNIFQTVFLNBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br3N2/c1-8(5-10-3-2-4-17-10)18-13-11(15)6-9(14)7-12(13)16/h6-8,10,17-18H,2-5H2,1H3.
What are the key properties of 2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline has a molecular weight of 441.01 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79541024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).