1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine

C20H20N4O2 — CID 111802898

IUPAC1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine
SMILESN/C(=N\CCOc1cccnc1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H20N4O2/c21-20(23-12-13-25-19-10-5-11-22-15-19)24-16-6-4-9-18(14-16)26-17-7-2-1-3-8-17/h1-11,14-15H,12-13H2,(H3,21,23,24)
InChIKeyYZRWQOLRIKVYCP-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.68
Rot. Bonds7

About 1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine

1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine (PubChem CID 111802898) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine.

Molecular Properties

Compound Name1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine
PubChem CID111802898
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine
SMILESN/C(=N\CCOc1cccnc1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H20N4O2/c21-20(23-12-13-25-19-10-5-11-22-15-19)24-16-6-4-9-18(14-16)26-17-7-2-1-3-8-17/h1-11,14-15H,12-13H2,(H3,21,23,24)
InChIKeyYZRWQOLRIKVYCP-UHFFFAOYSA-N
XLogP3.68
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443
1-(3,4-dimethylphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111802855
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111599985
2-[2-(6-methyl-3-pyridinyl)ethyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111802501
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111597441
1-(3-phenoxyphenyl)-2-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111600134
2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
CID 100667411
2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111802407
1-(3-phenoxyphenyl)-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111600133
2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111598720
1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111598315

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine?
The IUPAC name of 1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine (CID 111802898) is 1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine.
What is the SMILES notation for 1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine?
The canonical SMILES for 1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine is N/C(=N\CCOc1cccnc1)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine?
The InChIKey is YZRWQOLRIKVYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-20(23-12-13-25-19-10-5-11-22-15-19)24-16-6-4-9-18(14-16)26-17-7-2-1-3-8-17/h1-11,14-15H,12-13H2,(H3,21,23,24).
What are the key properties of 1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine?
1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine has a molecular weight of 348.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine is sourced from PubChem (CID 111802898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).