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

C13H19N3O2 — CID 111069220

IUPAC1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine
SMILESCOc1ccc(N/C(N)=N/C2CC2C)cc1OC
InChIInChI=1S/C13H19N3O2/c1-8-6-10(8)16-13(14)15-9-4-5-11(17-2)12(7-9)18-3/h4-5,7-8,10H,6H2,1-3H3,(H3,14,15,16)
InChIKeyNSSBVQFFSWAODJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.84
Rot. Bonds4

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

1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine (PubChem CID 111069220) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine
PubChem CID111069220
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine
SMILESCOc1ccc(N/C(N)=N/C2CC2C)cc1OC
InChIInChI=1S/C13H19N3O2/c1-8-6-10(8)16-13(14)15-9-4-5-11(17-2)12(7-9)18-3/h4-5,7-8,10H,6H2,1-3H3,(H3,14,15,16)
InChIKeyNSSBVQFFSWAODJ-UHFFFAOYSA-N
XLogP1.84
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.84
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-(3-chloro-4-methoxyphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069239
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine
CID 119146747
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 119146746
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111815333
1-(3,4-dimethoxyphenyl)-2-methylguanidine
CID 62381082
1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120663010
1-(3,4-dimethoxyphenyl)-2-spiro[3.4]octan-3-ylguanidine
CID 120514400
2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 120671766
1-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217
trans-[2-(3,4-dimethoxyanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020711
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
2-(2-benzylcyclopropyl)-1-(3-chloro-4-methoxyphenyl)guanidine
CID 119148305

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine (CID 111069220) is 1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine is COc1ccc(N/C(N)=N/C2CC2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine?
The InChIKey is NSSBVQFFSWAODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-6-10(8)16-13(14)15-9-4-5-11(17-2)12(7-9)18-3/h4-5,7-8,10H,6H2,1-3H3,(H3,14,15,16).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine?
1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine has a molecular weight of 249.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111069220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).