2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine

C14H13F3N2 — CID 62791242

IUPAC2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)12-5-1-4-11(8-12)13(18)7-10-3-2-6-19-9-10/h1-6,8-9,13H,7,18H2
InChIKeyXEMWQAXBKRKMEZ-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.34
Rot. Bonds3

About 2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine

2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62791242) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID62791242
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)12-5-1-4-11(8-12)13(18)7-10-3-2-6-19-9-10/h1-6,8-9,13H,7,18H2
InChIKeyXEMWQAXBKRKMEZ-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
1-(3-cyclobutylphenyl)-2-pyridin-3-ylethanamine
CID 114602876
1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62605037
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-3-ylethanamine
CID 105034568
2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 112727320
2-(3,5-difluorophenyl)-1-pyridin-3-ylethanamine
CID 54959804
2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 62720952
2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 61077581

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 62791242) is 2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine is NC(Cc1cccnc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is XEMWQAXBKRKMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c15-14(16,17)12-5-1-4-11(8-12)13(18)7-10-3-2-6-19-9-10/h1-6,8-9,13H,7,18H2.
What are the key properties of 2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine?
2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 266.27 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62791242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).