N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine

C14H12BrF3N2 — CID 66331036

IUPACN-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrF3N2/c1-9(10-2-4-12(15)5-3-10)20-13-8-11(6-7-19-13)14(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyFHEQTGOEFVOSGX-UHFFFAOYSA-N
MW345.16 g/mol
LogP5.04
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine

N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66331036) has the molecular formula C14H12BrF3N2 and a molecular weight of 345.16 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66331036
Molecular FormulaC14H12BrF3N2
Molecular Weight345.16 g/mol
Exact Mass344.01
IUPAC NameN-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrF3N2/c1-9(10-2-4-12(15)5-3-10)20-13-8-11(6-7-19-13)14(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyFHEQTGOEFVOSGX-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.16
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328268
N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331013
N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330449
N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 102715658
4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43110480
N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329838
N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55112715
N-[1-(4-bromophenyl)ethyl]-2-chloropyrimidin-4-amine
CID 62342465
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide
CID 114176396
4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 103736616
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (CID 66331036) is N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is CC(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FHEQTGOEFVOSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2/c1-9(10-2-4-12(15)5-3-10)20-13-8-11(6-7-19-13)14(16,17)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 345.16 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66331036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).