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

C15H18N4O — CID 116514295

IUPAC1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine
SMILESCC/N=C(\NN)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H18N4O/c1-2-17-15(19-16)18-12-7-6-10-14(11-12)20-13-8-4-3-5-9-13/h3-11H,2,16H2,1H3,(H2,17,18,19)
InChIKeyICLXBCHXODJVRI-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.73
Rot. Bonds4

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

1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine (PubChem CID 116514295) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine
PubChem CID116514295
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine
SMILESCC/N=C(\NN)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H18N4O/c1-2-17-15(19-16)18-12-7-6-10-14(11-12)20-13-8-4-3-5-9-13/h3-11H,2,16H2,1H3,(H2,17,18,19)
InChIKeyICLXBCHXODJVRI-UHFFFAOYSA-N
XLogP2.73
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-methyl-3-(3-phenoxyphenyl)guanidine
CID 116510859
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
1-amino-2-cyclopropyl-3-(3-phenoxyphenyl)guanidine
CID 116514298
1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine
CID 116511461
1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine
CID 116512166
2-(2-ethyl-2-hydroxybutyl)-1-(3-phenoxyphenyl)guanidine
CID 111599830
2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 110912668
1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine
CID 116511868
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111802407
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670
2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine
CID 111823533

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine?
The IUPAC name of 1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine (CID 116514295) is 1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine.
What is the SMILES notation for 1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine?
The canonical SMILES for 1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine is CC/N=C(\NN)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine?
The InChIKey is ICLXBCHXODJVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-17-15(19-16)18-12-7-6-10-14(11-12)20-13-8-4-3-5-9-13/h3-11H,2,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine?
1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine has a molecular weight of 270.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine is sourced from PubChem (CID 116514295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).