2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine

C14H12BrF3N2 — CID 102707963

IUPAC2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H12BrF3N2/c15-10-3-1-9(2-4-10)7-13(19)11-8-20-6-5-12(11)14(16,17)18/h1-6,8,13H,7,19H2
InChIKeyZSSRFRRZQJFQDY-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine

2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 102707963) has the molecular formula C14H12BrF3N2 and a molecular weight of 345.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID102707963
Molecular FormulaC14H12BrF3N2
Molecular Weight345.16 g/mol
Exact Mass344.01
IUPAC Name2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H12BrF3N2/c15-10-3-1-9(2-4-10)7-13(19)11-8-20-6-5-12(11)14(16,17)18/h1-6,8,13H,7,19H2
InChIKeyZSSRFRRZQJFQDY-UHFFFAOYSA-N
XLogP4.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102710047
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818
3-cyclopentyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709687
1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114714
1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708381
(5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708183
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708596
2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
CID 113455102
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
[1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine
CID 105212854
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 102707963) is 2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine is NC(Cc1ccc(Br)cc1)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is ZSSRFRRZQJFQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2/c15-10-3-1-9(2-4-10)7-13(19)11-8-20-6-5-12(11)14(16,17)18/h1-6,8,13H,7,19H2.
What are the key properties of 2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 345.16 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 102707963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).