1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine

C21H29N3O — CID 109418154

IUPAC1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccccc1)NCC(C)c1ccccc1
InChIInChI=1S/C21H29N3O/c1-4-22-20(23-15-17(2)18-11-7-5-8-12-18)24-16-21(3,25)19-13-9-6-10-14-19/h5-14,17,25H,4,15-16H2,1-3H3,(H2,22,23,24)
InChIKeyJKGKTUZOZVICKT-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.25
Rot. Bonds7

About 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine

1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine (PubChem CID 109418154) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine
PubChem CID109418154
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccccc1)NCC(C)c1ccccc1
InChIInChI=1S/C21H29N3O/c1-4-22-20(23-15-17(2)18-11-7-5-8-12-18)24-16-21(3,25)19-13-9-6-10-14-19/h5-14,17,25H,4,15-16H2,1-3H3,(H2,22,23,24)
InChIKeyJKGKTUZOZVICKT-UHFFFAOYSA-N
XLogP3.25
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine
CID 109417394
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109418370
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 109416878
1-ethyl-3-(3-fluoropropyl)-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109417596
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109418373
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(3-methyl-2-phenylbutyl)guanidine
CID 111672750
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine
CID 111342533
1-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111653840
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 109417286
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[3-(2-methylpropoxy)propyl]guanidine
CID 109417712
N-[2-[[N-ethyl-N'-(2-hydroxy-2-phenylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 109417678

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine (CID 109418154) is 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine is CCN/C(=N\CC(C)(O)c1ccccc1)NCC(C)c1ccccc1.
What is the InChIKey of 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine?
The InChIKey is JKGKTUZOZVICKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-4-22-20(23-15-17(2)18-11-7-5-8-12-18)24-16-21(3,25)19-13-9-6-10-14-19/h5-14,17,25H,4,15-16H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine?
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine has a molecular weight of 339.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine is sourced from PubChem (CID 109418154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).