4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline

C14H18BrF3N2 — CID 79540658

IUPAC4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline
SMILESCC(CC1CCCN1)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H18BrF3N2/c1-9(7-10-3-2-6-19-10)20-11-4-5-13(15)12(8-11)14(16,17)18/h4-5,8-10,19-20H,2-3,6-7H2,1H3
InChIKeyHPIBUZIBMBUUHE-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.41
Rot. Bonds4

About 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline

4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline (PubChem CID 79540658) has the molecular formula C14H18BrF3N2 and a molecular weight of 351.21 g/mol. Its IUPAC name is 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline
PubChem CID79540658
Molecular FormulaC14H18BrF3N2
Molecular Weight351.21 g/mol
Exact Mass350.06
IUPAC Name4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline
SMILESCC(CC1CCCN1)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H18BrF3N2/c1-9(7-10-3-2-6-19-10)20-11-4-5-13(15)12(8-11)14(16,17)18/h4-5,8-10,19-20H,2-3,6-7H2,1H3
InChIKeyHPIBUZIBMBUUHE-UHFFFAOYSA-N
XLogP4.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540717
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 79541571
3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540116
N-[1-(azepan-2-yl)propan-2-yl]-3-bromo-4-methylaniline
CID 79559813
2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107633006
3-bromo-4-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537317
4-bromo-3-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79767439
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 79537456
4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788363
2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541024
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1-pyrrolidin-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79537461

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline (CID 79540658) is 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline is CC(CC1CCCN1)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline?
The InChIKey is HPIBUZIBMBUUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2/c1-9(7-10-3-2-6-19-10)20-11-4-5-13(15)12(8-11)14(16,17)18/h4-5,8-10,19-20H,2-3,6-7H2,1H3.
What are the key properties of 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline?
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline has a molecular weight of 351.21 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 79540658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).