2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine

C19H25N3O — CID 111963897

IUPAC2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCCOCc1ccccc1
InChIInChI=1S/C19H25N3O/c1-2-20-19(22-15-17-9-5-3-6-10-17)21-13-14-23-16-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H2,20,21,22)
InChIKeyQDYDOIZLUJKALJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.96
Rot. Bonds8

About 2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine

2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine (PubChem CID 111963897) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine
PubChem CID111963897
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCCOCc1ccccc1
InChIInChI=1S/C19H25N3O/c1-2-20-19(22-15-17-9-5-3-6-10-17)21-13-14-23-16-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H2,20,21,22)
InChIKeyQDYDOIZLUJKALJ-UHFFFAOYSA-N
XLogP2.96
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.96
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

2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine
CID 110954950
1,3-diethyl-2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110925501
1-ethyl-3-(2-phenylmethoxyethyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111964643
1-(2-ethoxyethyl)-3-ethyl-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 111896537
1-ethyl-3-(2-methoxyethyl)-2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110939465
1-ethyl-2-(3-methylbutyl)-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111963968
1-ethyl-3-(4-phenylmethoxybutyl)-2-(thiophen-3-ylmethyl)guanidine
CID 111939903
2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111135717
1-ethyl-3-(2-methoxyethyl)-2-[[4-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110939469
1,3-diethyl-2-(4-phenylmethoxybutyl)guanidine
CID 110917028
2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine
CID 111964503
2-benzyl-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 110953833

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine?
The IUPAC name of 2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine (CID 111963897) is 2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine.
What is the SMILES notation for 2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine?
The canonical SMILES for 2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine is CCN/C(=N\Cc1ccccc1)NCCOCc1ccccc1.
What is the InChIKey of 2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine?
The InChIKey is QDYDOIZLUJKALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-20-19(22-15-17-9-5-3-6-10-17)21-13-14-23-16-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H2,20,21,22).
What are the key properties of 2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine?
2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine has a molecular weight of 311.43 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine is sourced from PubChem (CID 111963897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).