3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide

C15H16FN3O — CID 29006279

IUPAC3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCCc2ccccn2)c(F)c1
InChIInChI=1S/C15H16FN3O/c16-14-9-11(15(17)18)4-5-12(14)10-20-8-6-13-3-1-2-7-19-13/h1-5,7,9H,6,8,10H2,(H3,17,18)
InChIKeyXYLLWMCUCAJSBH-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.26
Rot. Bonds6

About 3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide

3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide (PubChem CID 29006279) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
PubChem CID29006279
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCCc2ccccn2)c(F)c1
InChIInChI=1S/C15H16FN3O/c16-14-9-11(15(17)18)4-5-12(14)10-20-8-6-13-3-1-2-7-19-13/h1-5,7,9H,6,8,10H2,(H3,17,18)
InChIKeyXYLLWMCUCAJSBH-UHFFFAOYSA-N
XLogP2.26
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 43128901
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 81293475
3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride
CID 175793778
5-fluoro-2-(2-pyridin-2-ylethoxymethyl)benzenecarbothioamide
CID 63293162
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide
CID 66321784
3-chloro-4-[(2-fluorophenyl)methoxymethyl]benzenecarboximidamide
CID 102668187
4-[(3,4-dichlorophenoxy)methyl]-3-fluorobenzenecarboximidamide
CID 61000059
2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide
CID 43368929
4-(2-pyridin-2-ylethoxy)butanimidamide
CID 43128902
4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285682
4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile
CID 43128871
3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide
CID 103370979

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide (CID 29006279) is 3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(COCCc2ccccn2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide?
The InChIKey is XYLLWMCUCAJSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-14-9-11(15(17)18)4-5-12(14)10-20-8-6-13-3-1-2-7-19-13/h1-5,7,9H,6,8,10H2,(H3,17,18).
What are the key properties of 3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide?
3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide has a molecular weight of 273.31 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 29006279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).