N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine

C11H15F3N2 — CID 66328316

IUPACN-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine
SMILESCCNC(C)Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H15F3N2/c1-3-15-8(2)6-10-7-9(4-5-16-10)11(12,13)14/h4-5,7-8,15H,3,6H2,1-2H3
InChIKeyXIGUFJGIJJPAQF-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.64
Rot. Bonds4

About N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine

N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine (PubChem CID 66328316) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine
PubChem CID66328316
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine
SMILESCCNC(C)Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H15F3N2/c1-3-15-8(2)6-10-7-9(4-5-16-10)11(12,13)14/h4-5,7-8,15H,3,6H2,1-2H3
InChIKeyXIGUFJGIJJPAQF-UHFFFAOYSA-N
XLogP2.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 28923762
N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 16640575
N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine
CID 66330877
2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride
CID 121232314
N-ethyl-1-(6-methylpyrimidin-4-yl)propan-2-amine
CID 63200457
4-(2-methylpentan-2-yl)-2-(2-methylpropyl)pyridine
CID 134215624
ethane;N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydroxysulfanylethane
CID 143236210
2-methyl-4-(trifluoromethyl)pyridine;propane
CID 143330484
N-ethyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62790871
N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine
CID 162617603
N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;2-methylbuta-1,3-diene;hydrochloride
CID 87555857
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine?
The IUPAC name of N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine (CID 66328316) is N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine is CCNC(C)Cc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine?
The InChIKey is XIGUFJGIJJPAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-3-15-8(2)6-10-7-9(4-5-16-10)11(12,13)14/h4-5,7-8,15H,3,6H2,1-2H3.
What are the key properties of N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine?
N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine has a molecular weight of 232.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 66328316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).