2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine

C18H23N3O3 — CID 111809136

IUPAC2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine
SMILESCCOc1cc(C/N=C(\N)Nc2ccccc2OC)ccc1OC
InChIInChI=1S/C18H23N3O3/c1-4-24-17-11-13(9-10-16(17)23-3)12-20-18(19)21-14-7-5-6-8-15(14)22-2/h5-11H,4,12H2,1-3H3,(H3,19,20,21)
InChIKeyPJSIAOSOBNPGME-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.03
Rot. Bonds7

About 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine

2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine (PubChem CID 111809136) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine
PubChem CID111809136
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine
SMILESCCOc1cc(C/N=C(\N)Nc2ccccc2OC)ccc1OC
InChIInChI=1S/C18H23N3O3/c1-4-24-17-11-13(9-10-16(17)23-3)12-20-18(19)21-14-7-5-6-8-15(14)22-2/h5-11H,4,12H2,1-3H3,(H3,19,20,21)
InChIKeyPJSIAOSOBNPGME-UHFFFAOYSA-N
XLogP3.03
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111809135
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111809159
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111809128
2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine
CID 95911334
ethyl 4-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]benzoate
CID 111078207
1-(3,4-dimethylphenyl)-2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111809081
1-tert-butyl-2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
CID 111049570
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111809094
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034020
1-tert-butyl-2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111049569
1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111082129
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine
CID 111812363

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine?
The IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine (CID 111809136) is 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine?
The canonical SMILES for 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine is CCOc1cc(C/N=C(\N)Nc2ccccc2OC)ccc1OC.
What is the InChIKey of 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine?
The InChIKey is PJSIAOSOBNPGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-24-17-11-13(9-10-16(17)23-3)12-20-18(19)21-14-7-5-6-8-15(14)22-2/h5-11H,4,12H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine?
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine has a molecular weight of 329.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine is sourced from PubChem (CID 111809136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).