1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine

C12H15FN4 — CID 83117213

IUPAC1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine
SMILESCC(NCCn1ccnc1)c1ccc(F)cn1
InChIInChI=1S/C12H15FN4/c1-10(12-3-2-11(13)8-16-12)15-5-7-17-6-4-14-9-17/h2-4,6,8-10,15H,5,7H2,1H3
InChIKeyYMCMQFKBXRHHJX-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.77
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine

1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine (PubChem CID 83117213) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine
PubChem CID83117213
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine
SMILESCC(NCCn1ccnc1)c1ccc(F)cn1
InChIInChI=1S/C12H15FN4/c1-10(12-3-2-11(13)8-16-12)15-5-7-17-6-4-14-9-17/h2-4,6,8-10,15H,5,7H2,1H3
InChIKeyYMCMQFKBXRHHJX-UHFFFAOYSA-N
XLogP1.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 83117451
N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115878869
1-(5-fluoro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 83117663
5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 61313733
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
N'-ethyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]-N'-methylethane-1,2-diamine
CID 83120084
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 75483187
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-3-yn-1-amine
CID 83119612
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323680
2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate
CID 83209734

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine (CID 83117213) is 1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine is CC(NCCn1ccnc1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The InChIKey is YMCMQFKBXRHHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-10(12-3-2-11(13)8-16-12)15-5-7-17-6-4-14-9-17/h2-4,6,8-10,15H,5,7H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine?
1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine has a molecular weight of 234.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine is sourced from PubChem (CID 83117213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).