1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C15H15F3N2 — CID 105123435

IUPAC1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ncccc1C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2/c1-10-13(6-3-7-20-10)14(19)9-11-4-2-5-12(8-11)15(16,17)18/h2-8,14H,9,19H2,1H3
InChIKeyZOBCLJIQXQLVCL-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.65
Rot. Bonds3

About 1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine

1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 105123435) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID105123435
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ncccc1C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2/c1-10-13(6-3-7-20-10)14(19)9-11-4-2-5-12(8-11)15(16,17)18/h2-8,14H,9,19H2,1H3
InChIKeyZOBCLJIQXQLVCL-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 64713286
3-[1-hydrazinyl-2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine
CID 105235141
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123659
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106857204
1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79988045
2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105110877
1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62605037
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62791242
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 105123435) is 1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is Cc1ncccc1C(N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is ZOBCLJIQXQLVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-10-13(6-3-7-20-10)14(19)9-11-4-2-5-12(8-11)15(16,17)18/h2-8,14H,9,19H2,1H3.
What are the key properties of 1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 280.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 105123435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).