1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine

C18H24N4O — CID 111006609

IUPAC1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccnc1)NCCOc1ccccc1
InChIInChI=1S/C18H24N4O/c1-2-20-18(21-12-10-16-7-6-11-19-15-16)22-13-14-23-17-8-4-3-5-9-17/h3-9,11,15H,2,10,12-14H2,1H3,(H2,20,21,22)
InChIKeyXYGQVIFCDUPTEZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.26
Rot. Bonds8

About 1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine

1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine (PubChem CID 111006609) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine
PubChem CID111006609
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccnc1)NCCOc1ccccc1
InChIInChI=1S/C18H24N4O/c1-2-20-18(21-12-10-16-7-6-11-19-15-16)22-13-14-23-17-8-4-3-5-9-17/h3-9,11,15H,2,10,12-14H2,1H3,(H2,20,21,22)
InChIKeyXYGQVIFCDUPTEZ-UHFFFAOYSA-N
XLogP2.26
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.26
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

N-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111004866
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111836192
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111200249
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111837478
2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111358554
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005630
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(2-pyridin-3-ylethyl)guanidine
CID 111402203
N-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111006124
2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111240907
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111402202
3-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111667855
1-ethyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-3-(2-phenoxyethyl)guanidine
CID 111006059

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine (CID 111006609) is 1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine is CCN/C(=N\CCc1cccnc1)NCCOc1ccccc1.
What is the InChIKey of 1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine?
The InChIKey is XYGQVIFCDUPTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-20-18(21-12-10-16-7-6-11-19-15-16)22-13-14-23-17-8-4-3-5-9-17/h3-9,11,15H,2,10,12-14H2,1H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine?
1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine has a molecular weight of 312.42 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine is sourced from PubChem (CID 111006609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).