1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine

C20H27N3O3 — CID 111779909

IUPAC1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine
SMILESCCN/C(=N\CCc1ccc(OC)cc1O)NCCOc1ccccc1
InChIInChI=1S/C20H27N3O3/c1-3-21-20(23-13-14-26-17-7-5-4-6-8-17)22-12-11-16-9-10-18(25-2)15-19(16)24/h4-10,15,24H,3,11-14H2,1-2H3,(H2,21,22,23)
InChIKeyDENKRGULHHTOHX-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.58
Rot. Bonds9

About 1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine

1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine (PubChem CID 111779909) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine
PubChem CID111779909
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine
SMILESCCN/C(=N\CCc1ccc(OC)cc1O)NCCOc1ccccc1
InChIInChI=1S/C20H27N3O3/c1-3-21-20(23-13-14-26-17-7-5-4-6-8-17)22-12-11-16-9-10-18(25-2)15-19(16)24/h4-10,15,24H,3,11-14H2,1-2H3,(H2,21,22,23)
InChIKeyDENKRGULHHTOHX-UHFFFAOYSA-N
XLogP2.58
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.58
H-Bond Donors ≤ 53
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-ethyl-3-(2-phenoxyethyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111004677
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005630
1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111782969
N-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]-4-methoxybenzamide
CID 111004871
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(2-phenylethyl)guanidine
CID 111134069
1-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111277625
2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine
CID 110952614
1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]-2-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111610179
1-ethyl-2-[2-[methyl(propan-2-yl)amino]ethyl]-3-(2-phenoxyethyl)guanidine
CID 111006059
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]guanidine;hydroiodide
CID 111410346
1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine
CID 111006609
2-[[ethylamino-[2-(4-methoxyphenoxy)ethylamino]methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111410584

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine (CID 111779909) is 1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine is CCN/C(=N\CCc1ccc(OC)cc1O)NCCOc1ccccc1.
What is the InChIKey of 1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine?
The InChIKey is DENKRGULHHTOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-21-20(23-13-14-26-17-7-5-4-6-8-17)22-12-11-16-9-10-18(25-2)15-19(16)24/h4-10,15,24H,3,11-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine?
1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine has a molecular weight of 357.45 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(2-phenoxyethyl)guanidine is sourced from PubChem (CID 111779909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).