1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine

C20H25N3O — CID 75532600

IUPAC1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
SMILESCC(N/C(=N/CCOc1ccccc1)NC1CC1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-16(17-8-4-2-5-9-17)22-20(23-18-12-13-18)21-14-15-24-19-10-6-3-7-11-19/h2-11,16,18H,12-15H2,1H3,(H2,21,22,23)
InChIKeyOHBZOOMJEIYADN-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.52
Rot. Bonds7

About 1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine

1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine (PubChem CID 75532600) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
PubChem CID75532600
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
SMILESCC(N/C(=N/CCOc1ccccc1)NC1CC1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-16(17-8-4-2-5-9-17)22-20(23-18-12-13-18)21-14-15-24-19-10-6-3-7-11-19/h2-11,16,18H,12-15H2,1H3,(H2,21,22,23)
InChIKeyOHBZOOMJEIYADN-UHFFFAOYSA-N
XLogP3.52
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-amino-3-cyclohexyl-2-(2-phenoxyethyl)guanidine
CID 116513778
1-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569
1-cyclopropyl-2-(2-phenoxyethyl)guanidine;hydrobromide
CID 126812379
2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
CID 75532598
1-ethyl-2-[2-(4-methylsulfonylphenoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545740
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-(2-phenoxyethyl)guanidine
CID 111529147
1-cyclohexyl-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(1-phenylethyl)guanidine
CID 111492378
2-[2-(furan-2-yl)ethyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110055095
1-cyclohexyl-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111492377
1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 75532438
2-[[[(1-cyclopropylpiperidin-4-yl)amino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038875
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine (CID 75532600) is 1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine is CC(N/C(=N/CCOc1ccccc1)NC1CC1)c1ccccc1.
What is the InChIKey of 1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine?
The InChIKey is OHBZOOMJEIYADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16(17-8-4-2-5-9-17)22-20(23-18-12-13-18)21-14-15-24-19-10-6-3-7-11-19/h2-11,16,18H,12-15H2,1H3,(H2,21,22,23).
What are the key properties of 1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine?
1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine has a molecular weight of 323.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 75532600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).