2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine

C17H21N3O2 — CID 110917300

IUPAC2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine
SMILESCOc1ccc(OC)c(CC/N=C(\N)Nc2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c1-21-15-8-9-16(22-2)13(12-15)10-11-19-17(18)20-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H3,18,19,20)
InChIKeyGSOHKUJLEUBAFQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.67
Rot. Bonds6

About 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine

2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine (PubChem CID 110917300) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine
PubChem CID110917300
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine
SMILESCOc1ccc(OC)c(CC/N=C(\N)Nc2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c1-21-15-8-9-16(22-2)13(12-15)10-11-19-17(18)20-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H3,18,19,20)
InChIKeyGSOHKUJLEUBAFQ-UHFFFAOYSA-N
XLogP2.67
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-cyano-2-[2-(2,5-dimethoxyphenyl)ethyl]guanidine
CID 142011662
2-[2-(3-methoxy-4-methylphenyl)ethyl]-1-phenylguanidine
CID 111459304
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 110913378
1-(3,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 111031502
1-(4-methoxyphenyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111080336
2-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111031471
2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111044494
1-(3,5-dimethylphenyl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111034928
2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
CID 100667411
1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111024092
2-(3-anilinopropyl)-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111088121
1-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046945

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine (CID 110917300) is 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine is COc1ccc(OC)c(CC/N=C(\N)Nc2ccccc2)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine?
The InChIKey is GSOHKUJLEUBAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-21-15-8-9-16(22-2)13(12-15)10-11-19-17(18)20-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H3,18,19,20).
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine?
2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine has a molecular weight of 299.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine is sourced from PubChem (CID 110917300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).