N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine

C14H12F4N2 — CID 104738170

IUPACN-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)c(F)c(F)c1)c1ccncc1F
InChIInChI=1S/C14H12F4N2/c1-2-20-14(9-3-4-19-7-12(9)17)8-5-10(15)13(18)11(16)6-8/h3-7,14,20H,2H2,1H3
InChIKeyCYNWBFWJKVTMLD-UHFFFAOYSA-N
MW284.26 g/mol
LogP3.34
Rot. Bonds4

About N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine

N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine (PubChem CID 104738170) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
PubChem CID104738170
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC NameN-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)c(F)c(F)c1)c1ccncc1F
InChIInChI=1S/C14H12F4N2/c1-2-20-14(9-3-4-19-7-12(9)17)8-5-10(15)13(18)11(16)6-8/h3-7,14,20H,2H2,1H3
InChIKeyCYNWBFWJKVTMLD-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107995206
N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine
CID 104738240
N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544959
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811
N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 105038426
N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 104738570
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(3,5-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 66272491
N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038084
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine (CID 104738170) is N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine is CCNC(c1cc(F)c(F)c(F)c1)c1ccncc1F.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine?
The InChIKey is CYNWBFWJKVTMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2/c1-2-20-14(9-3-4-19-7-12(9)17)8-5-10(15)13(18)11(16)6-8/h3-7,14,20H,2H2,1H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine?
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine has a molecular weight of 284.26 g/mol, XLogP of 3.34, 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-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 104738170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).