1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine

C18H23N3O3 — CID 111801526

IUPAC1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CC(C)Oc2ccccc2)cc1OC
InChIInChI=1S/C18H23N3O3/c1-13(24-15-7-5-4-6-8-15)12-20-18(19)21-14-9-10-16(22-2)17(11-14)23-3/h4-11,13H,12H2,1-3H3,(H3,19,20,21)
InChIKeyFVOXIHBOPPXJJC-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.90
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine

1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine (PubChem CID 111801526) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine
PubChem CID111801526
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CC(C)Oc2ccccc2)cc1OC
InChIInChI=1S/C18H23N3O3/c1-13(24-15-7-5-4-6-8-15)12-20-18(19)21-14-9-10-16(22-2)17(11-14)23-3/h4-11,13H,12H2,1-3H3,(H3,19,20,21)
InChIKeyFVOXIHBOPPXJJC-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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'}

Analyze 1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111820299
1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine
CID 111820760
2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320
1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide
CID 111801523
1-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111043601
2-(2,2-difluoroethyl)-1-(3,4-dimethoxyphenyl)guanidine
CID 111757672
methyl 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111097462
2-[2-(3-methylphenoxy)propyl]-1-phenylguanidine;hydroiodide
CID 111465350
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]guanidine
CID 111028912
2-[2-(3-chlorophenoxy)propyl]-1-(4-methoxyphenyl)guanidine
CID 111821629
2-[2-(4-fluorophenoxy)propyl]-1-(2-methoxyphenyl)guanidine
CID 111820314
2-[2-(2-methoxyphenoxy)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111820568

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine (CID 111801526) is 1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine is COc1ccc(N/C(N)=N/CC(C)Oc2ccccc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine?
The InChIKey is FVOXIHBOPPXJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(24-15-7-5-4-6-8-15)12-20-18(19)21-14-9-10-16(22-2)17(11-14)23-3/h4-11,13H,12H2,1-3H3,(H3,19,20,21).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine?
1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine has a molecular weight of 329.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine is sourced from PubChem (CID 111801526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).