2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine

C17H22N4O — CID 111036934

IUPAC2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CCCOc1ccccc1)NCCc1ccccn1
InChIInChI=1S/C17H22N4O/c18-17(21-13-10-15-7-4-5-11-19-15)20-12-6-14-22-16-8-2-1-3-9-16/h1-5,7-9,11H,6,10,12-14H2,(H3,18,20,21)
InChIKeySXCHZXUEUHZEDT-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.00
Rot. Bonds8

About 2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine

2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111036934) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111036934
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CCCOc1ccccc1)NCCc1ccccn1
InChIInChI=1S/C17H22N4O/c18-17(21-13-10-15-7-4-5-11-19-15)20-12-6-14-22-16-8-2-1-3-9-16/h1-5,7-9,11H,6,10,12-14H2,(H3,18,20,21)
InChIKeySXCHZXUEUHZEDT-UHFFFAOYSA-N
XLogP2.00
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026860
2-[[4-(phenoxymethyl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111054276
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111077449
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
2-(2-cycloheptyloxyethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111575875
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-phenoxypropyl)guanidine
CID 111036916
2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111810662

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine (CID 111036934) is 2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine is N/C(=N\CCCOc1ccccc1)NCCc1ccccn1.
What is the InChIKey of 2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is SXCHZXUEUHZEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c18-17(21-13-10-15-7-4-5-11-19-15)20-12-6-14-22-16-8-2-1-3-9-16/h1-5,7-9,11H,6,10,12-14H2,(H3,18,20,21).
What are the key properties of 2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine?
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 298.39 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111036934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).