1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine

C22H31N3O3 — CID 109417394

IUPAC1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccccc1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C22H31N3O3/c1-5-23-21(25-16-22(3,26)18-11-7-6-8-12-18)24-15-17(2)28-20-14-10-9-13-19(20)27-4/h6-14,17,26H,5,15-16H2,1-4H3,(H2,23,24,25)
InChIKeyQGINTMLGIKZYAZ-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.93
Rot. Bonds9

About 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine

1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine (PubChem CID 109417394) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine
PubChem CID109417394
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccccc1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C22H31N3O3/c1-5-23-21(25-16-22(3,26)18-11-7-6-8-12-18)24-15-17(2)28-20-14-10-9-13-19(20)27-4/h6-14,17,26H,5,15-16H2,1-4H3,(H2,23,24,25)
InChIKeyQGINTMLGIKZYAZ-UHFFFAOYSA-N
XLogP2.93
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 111335969
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 75494544
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine
CID 109418154
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111683323
2-[[ethylamino-[2-(2-methoxyphenoxy)propylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111683360
2-[[4-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-[2-(2-methoxyphenoxy)propyl]guanidine
CID 111683006
2-[[ethylamino-[2-(2-methoxyphenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111683132
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine
CID 111683008
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 109419587
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111683345
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111683168
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111684515

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine?
The IUPAC name of 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine (CID 109417394) is 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine is CCN/C(=N\CC(C)(O)c1ccccc1)NCC(C)Oc1ccccc1OC.
What is the InChIKey of 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine?
The InChIKey is QGINTMLGIKZYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-5-23-21(25-16-22(3,26)18-11-7-6-8-12-18)24-15-17(2)28-20-14-10-9-13-19(20)27-4/h6-14,17,26H,5,15-16H2,1-4H3,(H2,23,24,25).
What are the key properties of 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine?
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine has a molecular weight of 385.51 g/mol, XLogP of 2.93, 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-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine is sourced from PubChem (CID 109417394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).