N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine

C18H13F3N2O — CID 3838394

IUPACN-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccccc2Oc2ccccc2)ccn1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)17-12-13(10-11-22-17)23-15-8-4-5-9-16(15)24-14-6-2-1-3-7-14/h1-12H,(H,22,23)
InChIKeyJJNZKLJLJNDRCO-UHFFFAOYSA-N
MW330.31 g/mol
LogP5.64
Rot. Bonds4

About N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine

N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 3838394) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine
PubChem CID3838394
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC NameN-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccccc2Oc2ccccc2)ccn1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)17-12-13(10-11-22-17)23-15-8-4-5-9-16(15)24-14-6-2-1-3-7-14/h1-12H,(H,22,23)
InChIKeyJJNZKLJLJNDRCO-UHFFFAOYSA-N
XLogP5.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.31
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
CID 10944517
4,6-dichloro-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
CID 122677423
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide
CID 109222599
(4-methylsulfanylphenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 11596558
N-methyl-2-phenoxyaniline
CID 22961955
3-[[6-(2-phenoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193183
N-(3-phenoxyphenyl)quinolin-4-amine
CID 44531074
methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 45141626
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112901866
2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid
CID 11716131
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine (CID 3838394) is N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine is FC(F)(F)c1cc(Nc2ccccc2Oc2ccccc2)ccn1.
What is the InChIKey of N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is JJNZKLJLJNDRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c19-18(20,21)17-12-13(10-11-22-17)23-15-8-4-5-9-16(15)24-14-6-2-1-3-7-14/h1-12H,(H,22,23).
What are the key properties of N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine?
N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 330.31 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 3838394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).