2-ethyl-1-(3-phenoxyphenyl)guanidine

C15H17N3O — CID 55068736

IUPAC2-ethyl-1-(3-phenoxyphenyl)guanidine
SMILESCC/N=C(\N)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H17N3O/c1-2-17-15(16)18-12-7-6-10-14(11-12)19-13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H3,16,17,18)
InChIKeyZOBKXNPALVLBFC-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.23
Rot. Bonds4

About 2-ethyl-1-(3-phenoxyphenyl)guanidine

2-ethyl-1-(3-phenoxyphenyl)guanidine (PubChem CID 55068736) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-ethyl-1-(3-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(3-phenoxyphenyl)guanidine
PubChem CID55068736
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-ethyl-1-(3-phenoxyphenyl)guanidine
SMILESCC/N=C(\N)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H17N3O/c1-2-17-15(16)18-12-7-6-10-14(11-12)19-13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H3,16,17,18)
InChIKeyZOBKXNPALVLBFC-UHFFFAOYSA-N
XLogP3.23
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-ethyl-1-(3-phenoxyphenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethyl-2-hydroxybutyl)-1-(3-phenoxyphenyl)guanidine
CID 111599830
1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine
CID 116514295
2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 110912668
2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine
CID 111823533
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
3-[[amino-(3-phenoxyanilino)methylidene]amino]-2,2-dimethylpropanamide
CID 111599274
2-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111598250
2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598697
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111598315

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-phenoxyphenyl)guanidine?
The IUPAC name of 2-ethyl-1-(3-phenoxyphenyl)guanidine (CID 55068736) is 2-ethyl-1-(3-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-ethyl-1-(3-phenoxyphenyl)guanidine?
The canonical SMILES for 2-ethyl-1-(3-phenoxyphenyl)guanidine is CC/N=C(\N)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-ethyl-1-(3-phenoxyphenyl)guanidine?
The InChIKey is ZOBKXNPALVLBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-17-15(16)18-12-7-6-10-14(11-12)19-13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H3,16,17,18).
What are the key properties of 2-ethyl-1-(3-phenoxyphenyl)guanidine?
2-ethyl-1-(3-phenoxyphenyl)guanidine has a molecular weight of 255.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-phenoxyphenyl)guanidine is sourced from PubChem (CID 55068736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).