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

Pheniramine
CID 4761
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
2-(3-Phenylpropyl)Pyridine
CID 459494
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
Lanicemine
CID 9794203
2-Phenylpyridine
CID 13887
2-(Phenylmethyl)pyridine
CID 7581
4-(Pyridin-2-yl)aniline
CID 459518
2-(2-Phenylethyl)pyridine
CID 75028
N-Desmethylpheniramine
CID 161283
3-(2-Pyridin-4-ylethyl)aniline
CID 5200230
2-Phenylpyridin-4-amine
CID 2762833

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).