2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine

C18H23FN4O — CID 111230891

IUPAC2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccnc(OCC)c1)NCc1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c1-3-20-18(22-12-14-5-7-16(19)8-6-14)23-13-15-9-10-21-17(11-15)24-4-2/h5-11H,3-4,12-13H2,1-2H3,(H2,20,22,23)
InChIKeyYJZGVKXYKLDBNF-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.87
Rot. Bonds7

About 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine

2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine (PubChem CID 111230891) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine
PubChem CID111230891
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccnc(OCC)c1)NCc1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c1-3-20-18(22-12-14-5-7-16(19)8-6-14)23-13-15-9-10-21-17(11-15)24-4-2/h5-11H,3-4,12-13H2,1-2H3,(H2,20,22,23)
InChIKeyYJZGVKXYKLDBNF-UHFFFAOYSA-N
XLogP2.87
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[(2-ethoxy-4-pyridinyl)methyl]-3-ethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111899778
1-[(2-ethoxy-4-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine
CID 111940329
2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359261
1-ethyl-2-[(4-fluoro-3-methylphenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111853969
2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine
CID 111943205
1-ethyl-2-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-3-(2-methylpropyl)guanidine
CID 111179128
1-benzyl-2-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 111758629
1-ethyl-2-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-3-(2-methylsulfanylethyl)guanidine
CID 111345689
1-ethyl-3-[(4-fluorophenyl)methyl]-2-[(3-hydroxy-4-methoxyphenyl)methyl]guanidine
CID 111232439
1-ethyl-3-[(4-fluorophenyl)methyl]-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]guanidine
CID 111231089
2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
CID 111712700
2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine
CID 111845629

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine?
The IUPAC name of 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine (CID 111230891) is 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine.
What is the SMILES notation for 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine?
The canonical SMILES for 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine is CCN/C(=N\Cc1ccnc(OCC)c1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine?
The InChIKey is YJZGVKXYKLDBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-3-20-18(22-12-14-5-7-16(19)8-6-14)23-13-15-9-10-21-17(11-15)24-4-2/h5-11H,3-4,12-13H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine?
2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine has a molecular weight of 330.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine is sourced from PubChem (CID 111230891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).