1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine

C15H14F4N2 — CID 115940849

IUPAC1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCC(N)(c1cccc(C(F)(F)F)c1)c1ccc(F)cn1
InChIInChI=1S/C15H14F4N2/c1-2-14(20,13-7-6-12(16)9-21-13)10-4-3-5-11(8-10)15(17,18)19/h3-9H,2,20H2,1H3
InChIKeyCYQPQIUXVFLPQB-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.85
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine

1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 115940849) has the molecular formula C15H14F4N2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID115940849
Molecular FormulaC15H14F4N2
Molecular Weight298.28 g/mol
Exact Mass298.11
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCC(N)(c1cccc(C(F)(F)F)c1)c1ccc(F)cn1
InChIInChI=1S/C15H14F4N2/c1-2-14(20,13-7-6-12(16)9-21-13)10-4-3-5-11(8-10)15(17,18)19/h3-9H,2,20H2,1H3
InChIKeyCYQPQIUXVFLPQB-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115940834
1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine
CID 112586080
1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115940781
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115940775
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
6-[1-amino-1-[3-(1,1-difluoropropyl)phenyl]-2-phenylethyl]pyridin-3-ol
CID 163973931
(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 174186051
1-(2,5-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine
CID 114872751
3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine
CID 112585951
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83124710
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 115940849) is 1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine is CCC(N)(c1cccc(C(F)(F)F)c1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is CYQPQIUXVFLPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2/c1-2-14(20,13-7-6-12(16)9-21-13)10-4-3-5-11(8-10)15(17,18)19/h3-9H,2,20H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 298.28 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 115940849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).