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

C14H18BrF3N2 — CID 79541571

IUPAC4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
SMILESCC(CC1CCCN1)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H18BrF3N2/c1-9(7-11-3-2-6-19-11)20-13-5-4-10(15)8-12(13)14(16,17)18/h4-5,8-9,11,19-20H,2-3,6-7H2,1H3
InChIKeyDISSDRMYNOKGQA-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.41
Rot. Bonds4

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

4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline (PubChem CID 79541571) 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)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
PubChem CID79541571
Molecular FormulaC14H18BrF3N2
Molecular Weight351.21 g/mol
Exact Mass350.06
IUPAC Name4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
SMILESCC(CC1CCCN1)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H18BrF3N2/c1-9(7-11-3-2-6-19-11)20-13-5-4-10(15)8-12(13)14(16,17)18/h4-5,8-9,11,19-20H,2-3,6-7H2,1H3
InChIKeyDISSDRMYNOKGQA-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-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
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-2-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 82707999
2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107633006
3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540116
4-bromo-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79538410
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541024
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-4-methylaniline
CID 79552971
2-bromo-4-nitro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540045
2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107527335

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline (CID 79541571) is 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline is CC(CC1CCCN1)Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline?
The InChIKey is DISSDRMYNOKGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2/c1-9(7-11-3-2-6-19-11)20-13-5-4-10(15)8-12(13)14(16,17)18/h4-5,8-9,11,19-20H,2-3,6-7H2,1H3.
What are the key properties of 4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline?
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(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)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 79541571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).