1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine

C20H28N4O3 — CID 111679374

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine
SMILESCCOc1ncccc1CN/C(=N/C)NCC(C)Oc1cccc(OC)c1
InChIInChI=1S/C20H28N4O3/c1-5-26-19-16(8-7-11-22-19)14-24-20(21-3)23-13-15(2)27-18-10-6-9-17(12-18)25-4/h6-12,15H,5,13-14H2,1-4H3,(H2,21,23,24)
InChIKeyLDCNFYZZOODAMB-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.62
Rot. Bonds9

About 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine

1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine (PubChem CID 111679374) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine
PubChem CID111679374
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine
SMILESCCOc1ncccc1CN/C(=N/C)NCC(C)Oc1cccc(OC)c1
InChIInChI=1S/C20H28N4O3/c1-5-26-19-16(8-7-11-22-19)14-24-20(21-3)23-13-15(2)27-18-10-6-9-17(12-18)25-4/h6-12,15H,5,13-14H2,1-4H3,(H2,21,23,24)
InChIKeyLDCNFYZZOODAMB-UHFFFAOYSA-N
XLogP2.62
TPSA77.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-pyridinyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111682689
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111682656
1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111679089
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111682655
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216677
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111678596
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111679162
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111679708
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 111309574
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111678935
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111679205
1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000366

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine (CID 111679374) is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine is CCOc1ncccc1CN/C(=N/C)NCC(C)Oc1cccc(OC)c1.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine?
The InChIKey is LDCNFYZZOODAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-5-26-19-16(8-7-11-22-19)14-24-20(21-3)23-13-15(2)27-18-10-6-9-17(12-18)25-4/h6-12,15H,5,13-14H2,1-4H3,(H2,21,23,24).
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine?
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine has a molecular weight of 372.47 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 111679374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).