1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine

C23H25FN4O — CID 110967482

IUPAC1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(OCc2cccc(F)c2)cc1)NCc1ccccn1
InChIInChI=1S/C23H25FN4O/c1-2-25-23(28-16-21-8-3-4-13-26-21)27-15-18-9-11-22(12-10-18)29-17-19-6-5-7-20(24)14-19/h3-14H,2,15-17H2,1H3,(H2,25,27,28)
InChIKeyWOIYKNNJYNHGMN-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.05
Rot. Bonds8

About 1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine

1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 110967482) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
PubChem CID110967482
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(OCc2cccc(F)c2)cc1)NCc1ccccn1
InChIInChI=1S/C23H25FN4O/c1-2-25-23(28-16-21-8-3-4-13-26-21)27-15-18-9-11-22(12-10-18)29-17-19-6-5-7-20(24)14-19/h3-14H,2,15-17H2,1H3,(H2,25,27,28)
InChIKeyWOIYKNNJYNHGMN-UHFFFAOYSA-N
XLogP4.05
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.05
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-[(2,5-difluorophenyl)methyl]-3-ethyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111902574
2-[(3-ethoxyphenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967561
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970690
1-ethyl-3-(2-phenylethyl)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111135382
1-ethyl-2-[(3-fluoro-4-hydroxyphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111790351
1-ethyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615114
2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969780
1-ethyl-3-prop-2-enyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110979568
2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969779
4-[[[ethylamino-(pyridin-2-ylmethylamino)methylidene]amino]methyl]benzamide
CID 110969558
1-ethyl-3-[(2-methylphenyl)methyl]-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111360835
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111395599

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine (CID 110967482) is 1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccc(OCc2cccc(F)c2)cc1)NCc1ccccn1.
What is the InChIKey of 1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is WOIYKNNJYNHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-2-25-23(28-16-21-8-3-4-13-26-21)27-15-18-9-11-22(12-10-18)29-17-19-6-5-7-20(24)14-19/h3-14H,2,15-17H2,1H3,(H2,25,27,28).
What are the key properties of 1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine?
1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 392.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110967482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).