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

C18H23N3O3 — CID 111061365

IUPAC2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
SMILESCOCCOc1cccc(C/N=C(\N)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23N3O3/c1-22-10-11-24-17-5-3-4-14(12-17)13-20-18(19)21-15-6-8-16(23-2)9-7-15/h3-9,12H,10-11,13H2,1-2H3,(H3,19,20,21)
InChIKeyFNAIQEPXEFUPIB-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.65
Rot. Bonds8

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

2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine (PubChem CID 111061365) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
PubChem CID111061365
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
SMILESCOCCOc1cccc(C/N=C(\N)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23N3O3/c1-22-10-11-24-17-5-3-4-14(12-17)13-20-18(19)21-15-6-8-16(23-2)9-7-15/h3-9,12H,10-11,13H2,1-2H3,(H3,19,20,21)
InChIKeyFNAIQEPXEFUPIB-UHFFFAOYSA-N
XLogP2.65
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801806
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
1-(3,5-dimethylphenyl)-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111061374
1-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111061404
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110935270
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111811710
1-butyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111061369
1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine
CID 111059365
1-(3-methoxyphenyl)-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111048024
1-butyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111061368

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine (CID 111061365) is 2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine is COCCOc1cccc(C/N=C(\N)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
The InChIKey is FNAIQEPXEFUPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-22-10-11-24-17-5-3-4-14(12-17)13-20-18(19)21-15-6-8-16(23-2)9-7-15/h3-9,12H,10-11,13H2,1-2H3,(H3,19,20,21).
What are the key properties of 2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine has a molecular weight of 329.40 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 111061365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).