N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine

C16H23FN4 — CID 79751590

IUPACN-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine
SMILESCCCn1ccnc1CC(NC(C)C)c1ccc(F)cn1
InChIInChI=1S/C16H23FN4/c1-4-8-21-9-7-18-16(21)10-15(20-12(2)3)14-6-5-13(17)11-19-14/h5-7,9,11-12,15,20H,4,8,10H2,1-3H3
InChIKeyGDSSLYBAZBVPEY-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.11
Rot. Bonds7

About N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine

N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine (PubChem CID 79751590) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine
PubChem CID79751590
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine
SMILESCCCn1ccnc1CC(NC(C)C)c1ccc(F)cn1
InChIInChI=1S/C16H23FN4/c1-4-8-21-9-7-18-16(21)10-15(20-12(2)3)14-6-5-13(17)11-19-14/h5-7,9,11-12,15,20H,4,8,10H2,1-3H3
InChIKeyGDSSLYBAZBVPEY-UHFFFAOYSA-N
XLogP3.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 105248555
1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751341
[1-(2,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105216699
1-(5-fluoro-2-pyridinyl)-N-propan-2-yldecan-1-amine
CID 79706841
N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 79712406
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline
CID 105167752
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751378
N-[1-(5-fluoro-2-pyridinyl)-2-thiophen-2-ylethyl]propan-2-amine
CID 79712298
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530517
N-methyl-1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752583
1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine
CID 79713467

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine (CID 79751590) is N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine is CCCn1ccnc1CC(NC(C)C)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine?
The InChIKey is GDSSLYBAZBVPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-4-8-21-9-7-18-16(21)10-15(20-12(2)3)14-6-5-13(17)11-19-14/h5-7,9,11-12,15,20H,4,8,10H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine?
N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine has a molecular weight of 290.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 79751590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).