4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline

C14H12BrF3N2 — CID 60864182

IUPAC4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)ccc1NCCc1ccccn1
InChIInChI=1S/C14H12BrF3N2/c15-10-4-5-13(12(9-10)14(16,17)18)20-8-6-11-3-1-2-7-19-11/h1-5,7,9,20H,6,8H2
InChIKeyXPMVKJKXNHNCET-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.52
Rot. Bonds4

About 4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline

4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline (PubChem CID 60864182) has the molecular formula C14H12BrF3N2 and a molecular weight of 345.16 g/mol. Its IUPAC name is 4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline
PubChem CID60864182
Molecular FormulaC14H12BrF3N2
Molecular Weight345.16 g/mol
Exact Mass344.01
IUPAC Name4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)ccc1NCCc1ccccn1
InChIInChI=1S/C14H12BrF3N2/c15-10-4-5-13(12(9-10)14(16,17)18)20-8-6-11-3-1-2-7-19-11/h1-5,7,9,20H,6,8H2
InChIKeyXPMVKJKXNHNCET-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline
CID 54952691
4-bromo-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 65343240
4-bromo-N-(3-phenylpropyl)-2-(trifluoromethyl)aniline
CID 60792367
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393
4-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 60792864
4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 65483223
4-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(trifluoromethyl)aniline
CID 112588802
N-benzyl-4-bromo-2-(trifluoromethyl)aniline
CID 60792374
4-bromo-N-(4,4,4-trifluorobutyl)-2-(trifluoromethyl)aniline
CID 115513559
4-bromo-N-(pyrimidin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 55109677
2-nitro-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 3783366
N-[4-bromo-2-(trifluoromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 54918575

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline (CID 60864182) is 4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1cc(Br)ccc1NCCc1ccccn1.
What is the InChIKey of 4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline?
The InChIKey is XPMVKJKXNHNCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2/c15-10-4-5-13(12(9-10)14(16,17)18)20-8-6-11-3-1-2-7-19-11/h1-5,7,9,20H,6,8H2.
What are the key properties of 4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline?
4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline has a molecular weight of 345.16 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 60864182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).