N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C13H19F4N3 — CID 83126566

IUPACN-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCNC(CCN(C)CC(F)(F)F)c1ccc(F)cn1
InChIInChI=1S/C13H19F4N3/c1-3-18-12(11-5-4-10(14)8-19-11)6-7-20(2)9-13(15,16)17/h4-5,8,12,18H,3,6-7,9H2,1-2H3
InChIKeyZIAAZLFWZRIVDW-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.76
Rot. Bonds7

About N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 83126566) has the molecular formula C13H19F4N3 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID83126566
Molecular FormulaC13H19F4N3
Molecular Weight293.31 g/mol
Exact Mass293.15
IUPAC NameN-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCNC(CCN(C)CC(F)(F)F)c1ccc(F)cn1
InChIInChI=1S/C13H19F4N3/c1-3-18-12(11-5-4-10(14)8-19-11)6-7-20(2)9-13(15,16)17/h4-5,8,12,18H,3,6-7,9H2,1-2H3
InChIKeyZIAAZLFWZRIVDW-UHFFFAOYSA-N
XLogP2.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine with MolForge

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Related Compounds

1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
CID 83126298
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 83126155
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83125854
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83129133
N'-[2-(dimethylamino)ethyl]-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83111114
2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol
CID 83111687
3-[2,2-dimethylpropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126379
2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 83126078
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62644843
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine
CID 79713745
N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine
CID 79712767
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530517

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 83126566) is N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCNC(CCN(C)CC(F)(F)F)c1ccc(F)cn1.
What is the InChIKey of N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is ZIAAZLFWZRIVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F4N3/c1-3-18-12(11-5-4-10(14)8-19-11)6-7-20(2)9-13(15,16)17/h4-5,8,12,18H,3,6-7,9H2,1-2H3.
What are the key properties of N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 293.31 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 83126566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).