1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine

C19H25N3O3 — CID 111820760

IUPAC1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CC(C)Oc2ccccc2C)cc1OC
InChIInChI=1S/C19H25N3O3/c1-13-7-5-6-8-16(13)25-14(2)12-21-19(20)22-15-9-10-17(23-3)18(11-15)24-4/h5-11,14H,12H2,1-4H3,(H3,20,21,22)
InChIKeyZCLCOJWLQJMTGK-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.21
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine

1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine (PubChem CID 111820760) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine
PubChem CID111820760
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CC(C)Oc2ccccc2C)cc1OC
InChIInChI=1S/C19H25N3O3/c1-13-7-5-6-8-16(13)25-14(2)12-21-19(20)22-15-9-10-17(23-3)18(11-15)24-4/h5-11,14H,12H2,1-4H3,(H3,20,21,22)
InChIKeyZCLCOJWLQJMTGK-UHFFFAOYSA-N
XLogP3.21
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.21
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

1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine
CID 111801526
1-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111820299
1-(3,4-dimethoxyphenyl)-2-[3-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111803567
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]guanidine
CID 111028912
2-(2,2-difluoroethyl)-1-(3,4-dimethoxyphenyl)guanidine
CID 111757672
2-[2-(2-methoxyphenoxy)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111820568
methyl 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111097462
1-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111043601
2-[2-(2-chlorophenoxy)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111821479
2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111821474
2-[2-(2-bromophenoxy)propyl]-1-(2-methoxyphenyl)guanidine
CID 111752766
1-(3,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine;hydroiodide
CID 111071295

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine (CID 111820760) is 1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine is COc1ccc(N/C(N)=N/CC(C)Oc2ccccc2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine?
The InChIKey is ZCLCOJWLQJMTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-7-5-6-8-16(13)25-14(2)12-21-19(20)22-15-9-10-17(23-3)18(11-15)24-4/h5-11,14H,12H2,1-4H3,(H3,20,21,22).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine?
1-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)propyl]guanidine has a molecular weight of 343.43 g/mol, XLogP of 3.21, 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-(2-methylphenoxy)propyl]guanidine is sourced from PubChem (CID 111820760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).