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

C15H14F4N2 — CID 107288766

IUPACN-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H14F4N2/c1-2-21-14(10-5-7-20-8-6-10)11-3-4-12(13(16)9-11)15(17,18)19/h3-9,14,21H,2H2,1H3
InChIKeyVRKXDEAWKFHUMT-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.94
Rot. Bonds4

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

N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine (PubChem CID 107288766) has the molecular formula C15H14F4N2 and a molecular weight of 298.28 g/mol. Its IUPAC name is N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
PubChem CID107288766
Molecular FormulaC15H14F4N2
Molecular Weight298.28 g/mol
Exact Mass298.11
IUPAC NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H14F4N2/c1-2-21-14(10-5-7-20-8-6-10)11-3-4-12(13(16)9-11)15(17,18)19/h3-9,14,21H,2H2,1H3
InChIKeyVRKXDEAWKFHUMT-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-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107288998
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine
CID 107288862
N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62802970
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107978064
N-[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
CID 102753570
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine
CID 107288759
N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789996
N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107995206
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797
N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 82822617
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine (CID 107288766) is N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine is CCNC(c1ccncc1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine?
The InChIKey is VRKXDEAWKFHUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2/c1-2-21-14(10-5-7-20-8-6-10)11-3-4-12(13(16)9-11)15(17,18)19/h3-9,14,21H,2H2,1H3.
What are the key properties of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine?
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-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-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine is sourced from PubChem (CID 107288766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).