2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine

C20H20FN5O — CID 111051444

IUPAC2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\Cc1cccnc1Oc1cccc(F)c1)NCCc1ccccn1
InChIInChI=1S/C20H20FN5O/c21-16-6-3-8-18(13-16)27-19-15(5-4-11-24-19)14-26-20(22)25-12-9-17-7-1-2-10-23-17/h1-8,10-11,13H,9,12,14H2,(H3,22,25,26)
InChIKeySTNGNZUBTUZMPC-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.06
Rot. Bonds7

About 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine

2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111051444) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111051444
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\Cc1cccnc1Oc1cccc(F)c1)NCCc1ccccn1
InChIInChI=1S/C20H20FN5O/c21-16-6-3-8-18(13-16)27-19-15(5-4-11-24-19)14-26-20(22)25-12-9-17-7-1-2-10-23-17/h1-8,10-11,13H,9,12,14H2,(H3,22,25,26)
InChIKeySTNGNZUBTUZMPC-UHFFFAOYSA-N
XLogP3.06
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111051409
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 111051426
2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 110915439
2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111051478
2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111044994
2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111037288
2-[(2-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 111051460
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 111598486
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111083165
1-butyl-3-ethyl-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111150673
1-ethyl-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylsulfanylethyl)guanidine
CID 111343653

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111051444) is 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine is N/C(=N\Cc1cccnc1Oc1cccc(F)c1)NCCc1ccccn1.
What is the InChIKey of 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is STNGNZUBTUZMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-16-6-3-8-18(13-16)27-19-15(5-4-11-24-19)14-26-20(22)25-12-9-17-7-1-2-10-23-17/h1-8,10-11,13H,9,12,14H2,(H3,22,25,26).
What are the key properties of 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 365.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111051444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).