N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine

C15H14F4N2 — CID 107288759

IUPACN-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(F)c(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C15H14F4N2/c1-2-20-14(13-5-3-4-8-21-13)10-6-7-12(16)11(9-10)15(17,18)19/h3-9,14,20H,2H2,1H3
InChIKeyMYOJWEIUFAGUMC-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.94
Rot. Bonds4

About N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine

N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine (PubChem CID 107288759) has the molecular formula C15H14F4N2 and a molecular weight of 298.28 g/mol. Its IUPAC name is N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine
PubChem CID107288759
Molecular FormulaC15H14F4N2
Molecular Weight298.28 g/mol
Exact Mass298.11
IUPAC NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(F)c(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C15H14F4N2/c1-2-20-14(13-5-3-4-8-21-13)10-6-7-12(16)11(9-10)15(17,18)19/h3-9,14,20H,2H2,1H3
InChIKeyMYOJWEIUFAGUMC-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107978068
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 107291930
N-[(4-ethylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 55084696
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-2-yl)methyl]ethanamine
CID 62789488
N-[(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107291929
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(5-iodothiophen-3-yl)methyl]ethanamine
CID 107291883
N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 115854344
1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62802022
N-[naphthalen-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 62790514
N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 62802656
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
CID 107288766
N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 65105127

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine (CID 107288759) is N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine is CCNC(c1ccc(F)c(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine?
The InChIKey is MYOJWEIUFAGUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2/c1-2-20-14(13-5-3-4-8-21-13)10-6-7-12(16)11(9-10)15(17,18)19/h3-9,14,20H,2H2,1H3.
What are the key properties of N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine?
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine has a molecular weight of 298.28 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine is sourced from PubChem (CID 107288759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).