1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine

C14H23N3O — CID 111335969

IUPAC1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
SMILESCCNC(=NCC(C)(O)c1ccccc1)NCC
InChIInChI=1S/C14H23N3O/c1-4-15-13(16-5-2)17-11-14(3,18)12-9-7-6-8-10-12/h6-10,18H,4-5,11H2,1-3H3,(H2,15,16,17)
InChIKeyPWKQUAIZOHVPPS-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.47
Rot. Bonds5

About 1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine

1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine (PubChem CID 111335969) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
PubChem CID111335969
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
SMILESCCNC(=NCC(C)(O)c1ccccc1)NCC
InChIInChI=1S/C14H23N3O/c1-4-15-13(16-5-2)17-11-14(3,18)12-9-7-6-8-10-12/h6-10,18H,4-5,11H2,1-3H3,(H2,15,16,17)
InChIKeyPWKQUAIZOHVPPS-UHFFFAOYSA-N
XLogP1.47
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.47
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-ethyl-3-(3-fluoropropyl)-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109417596
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-phenylpropyl)guanidine
CID 109418154
N-[2-[[N-ethyl-N'-(2-hydroxy-2-phenylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 109417678
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
CID 109417915
tert-butyl N-[2-[[N-ethyl-N'-(2-hydroxy-2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 109418313
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-pyrazol-1-ylethyl)guanidine
CID 109418104
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 109417286
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[3-(methanesulfonamido)propyl]guanidine
CID 109418578
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-hydroxy-2-phenylpropyl)guanidine
CID 109418550
tert-butyl N-[3-[[N-ethyl-N'-(2-hydroxy-2-phenylpropyl)carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 109417667
1-[(1-cyclopropylcyclobutyl)methyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109418258
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 109418514

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine?
The IUPAC name of 1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine (CID 111335969) is 1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine.
What is the SMILES notation for 1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine?
The canonical SMILES for 1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine is CCNC(=NCC(C)(O)c1ccccc1)NCC.
What is the InChIKey of 1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine?
The InChIKey is PWKQUAIZOHVPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-15-13(16-5-2)17-11-14(3,18)12-9-7-6-8-10-12/h6-10,18H,4-5,11H2,1-3H3,(H2,15,16,17).
What are the key properties of 1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine?
1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine has a molecular weight of 249.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine is sourced from PubChem (CID 111335969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).