2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine

C14H11Br2F3N2 — CID 104801818

IUPAC2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H11Br2F3N2/c15-9-1-2-11(12(5-9)14(17,18)19)13(20)4-8-3-10(16)7-21-6-8/h1-3,5-7,13H,4,20H2
InChIKeyMVRRULCSXNJFLE-UHFFFAOYSA-N
MW424.06 g/mol
LogP4.87
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine

2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 104801818) has the molecular formula C14H11Br2F3N2 and a molecular weight of 424.06 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
PubChem CID104801818
Molecular FormulaC14H11Br2F3N2
Molecular Weight424.06 g/mol
Exact Mass421.92
IUPAC Name2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H11Br2F3N2/c15-9-1-2-11(12(5-9)14(17,18)19)13(20)4-8-3-10(16)7-21-6-8/h1-3,5-7,13H,4,20H2
InChIKeyMVRRULCSXNJFLE-UHFFFAOYSA-N
XLogP4.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.06
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105036649
2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
CID 113455102
2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
CID 105036620
1-[4-bromo-2-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 64566197
2-(4-bromophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102707963
1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312277
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 62690862
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol
CID 115833331
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 79752934
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine (CID 104801818) is 2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine is NC(Cc1cncc(Br)c1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is MVRRULCSXNJFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F3N2/c15-9-1-2-11(12(5-9)14(17,18)19)13(20)4-8-3-10(16)7-21-6-8/h1-3,5-7,13H,4,20H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine?
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 424.06 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 104801818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).