2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine

C20H24F4N2 — CID 165395634

IUPAC2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCCC(C)c1cc(C(CNC)C(F)(F)F)nc(-c2ccc(F)cc2)c1C
InChIInChI=1S/C20H24F4N2/c1-5-12(2)16-10-18(17(11-25-4)20(22,23)24)26-19(13(16)3)14-6-8-15(21)9-7-14/h6-10,12,17,25H,5,11H2,1-4H3
InChIKeyVAXUVBYYJFVFAZ-UHFFFAOYSA-N
MW368.42 g/mol
LogP5.57
Rot. Bonds6

About 2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine

2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 165395634) has the molecular formula C20H24F4N2 and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID165395634
Molecular FormulaC20H24F4N2
Molecular Weight368.42 g/mol
Exact Mass368.19
IUPAC Name2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCCC(C)c1cc(C(CNC)C(F)(F)F)nc(-c2ccc(F)cc2)c1C
InChIInChI=1S/C20H24F4N2/c1-5-12(2)16-10-18(17(11-25-4)20(22,23)24)26-19(13(16)3)14-6-8-15(21)9-7-14/h6-10,12,17,25H,5,11H2,1-4H3
InChIKeyVAXUVBYYJFVFAZ-UHFFFAOYSA-N
XLogP5.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-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-Desmethylpheniramine
CID 161283
ML318
CID 56604881
6-fluoro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10425802
2-Methyl-6-(4-phenylpent-1-ynyl)pyridine
CID 11736483
6-(2-{3-Fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine
CID 130449136
4-(trifluoromethyl)-N-[[6-[[4-(trifluoromethyl)anilino]methyl]pyridin-2-yl]methyl]aniline
CID 21130228
2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 132578412
4-ethyl-N-[[6-[(4-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 132578413
n-Benzyl-2-(pyridin-2-yl)ethanamine
CID 238354
2-(4-(Trifluoromethyl)phenyl)-2-(6-(trifluoromethyl) pyridin-2-yl)acetonitrile (29)
CID 56604846
6-(Cyano(4-fluorophenyl)methyl)-3-methylpicolinonitrile (26)
CID 56604871
(2s)-(4-Fluorophenyl)[6-(Trifluoromethyl)pyridin-2-Yl]ethanenitrile
CID 74627698

Frequently Asked Questions

What is the IUPAC name of 2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of 2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine (CID 165395634) is 2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine is CCC(C)c1cc(C(CNC)C(F)(F)F)nc(-c2ccc(F)cc2)c1C.
What is the InChIKey of 2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is VAXUVBYYJFVFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F4N2/c1-5-12(2)16-10-18(17(11-25-4)20(22,23)24)26-19(13(16)3)14-6-8-15(21)9-7-14/h6-10,12,17,25H,5,11H2,1-4H3.
What are the key properties of 2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 368.42 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-butan-2-yl-6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 165395634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).