N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C14H12F4N2 — CID 60631349

IUPACN-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ccc(C(F)(F)F)cn1)c1cccc(F)c1
InChIInChI=1S/C14H12F4N2/c1-9(10-3-2-4-12(15)7-10)20-13-6-5-11(8-19-13)14(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyGMJQTQXOPXRZGA-UHFFFAOYSA-N
MW284.26 g/mol
LogP4.41
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 60631349) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID60631349
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ccc(C(F)(F)F)cn1)c1cccc(F)c1
InChIInChI=1S/C14H12F4N2/c1-9(10-3-2-4-12(15)7-10)20-13-6-5-11(8-19-13)14(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyGMJQTQXOPXRZGA-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66479729
N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 43399613
N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60703918
N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60869456
N-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43084333
3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline
CID 65491388
(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28541344
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660
2-bromo-5-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 107633051
N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 115691993

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 60631349) is N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is CC(Nc1ccc(C(F)(F)F)cn1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GMJQTQXOPXRZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2/c1-9(10-3-2-4-12(15)7-10)20-13-6-5-11(8-19-13)14(16,17)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 284.26 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60631349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).