2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine

C16H19N3O — CID 110918169

IUPAC2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine
SMILESCCOc1ccccc1C/N=C(\N)Nc1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-20-15-11-7-6-8-13(15)12-18-16(17)19-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H3,17,18,19)
InChIKeyIRQYBJZXXARBDG-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.01
Rot. Bonds5

About 2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine

2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine (PubChem CID 110918169) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine
PubChem CID110918169
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine
SMILESCCOc1ccccc1C/N=C(\N)Nc1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-20-15-11-7-6-8-13(15)12-18-16(17)19-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H3,17,18,19)
InChIKeyIRQYBJZXXARBDG-UHFFFAOYSA-N
XLogP3.01
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.01
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'}

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Related Compounds

2-[(2-ethoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111044251
2-[[2-(2-methylpropoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110926580
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-ethoxyphenyl)methyl]guanidine
CID 111044310
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-ethoxyphenyl)methyl]guanidine;hydroiodide
CID 111044309
2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine
CID 111044278
2-[(4-ethoxy-3-fluorophenyl)methyl]-1-phenylguanidine
CID 111105561
2-[(2-ethoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111044339
1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 111025242
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111053050
1-(4-methoxyphenyl)-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine
CID 111090233
2-[[N'-[(2-ethoxyphenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111881186
2-[(2-ethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111044300

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine?
The IUPAC name of 2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine (CID 110918169) is 2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine?
The canonical SMILES for 2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine is CCOc1ccccc1C/N=C(\N)Nc1ccccc1.
What is the InChIKey of 2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine?
The InChIKey is IRQYBJZXXARBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-20-15-11-7-6-8-13(15)12-18-16(17)19-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H3,17,18,19).
What are the key properties of 2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine?
2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine has a molecular weight of 269.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine is sourced from PubChem (CID 110918169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).