1-(3,4-dimethoxyphenyl)-2-methylguanidine

C10H15N3O2 — CID 62381082

IUPAC1-(3,4-dimethoxyphenyl)-2-methylguanidine
SMILESC/N=C(\N)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C10H15N3O2/c1-12-10(11)13-7-4-5-8(14-2)9(6-7)15-3/h4-6H,1-3H3,(H3,11,12,13)
InChIKeyQKDIVMWGDQQLKX-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.06
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)-2-methylguanidine

1-(3,4-dimethoxyphenyl)-2-methylguanidine (PubChem CID 62381082) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-methylguanidine
PubChem CID62381082
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(3,4-dimethoxyphenyl)-2-methylguanidine
SMILESC/N=C(\N)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C10H15N3O2/c1-12-10(11)13-7-4-5-8(14-2)9(6-7)15-3/h4-6H,1-3H3,(H3,11,12,13)
InChIKeyQKDIVMWGDQQLKX-UHFFFAOYSA-N
XLogP1.06
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.06
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

(3,4-dimethoxyphenyl)urea
CID 21197430
2-(2,2-difluoroethyl)-1-(3,4-dimethoxyphenyl)guanidine
CID 111757672
1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine
CID 111069220
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine
CID 119146747
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 119146746
1-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111814690
1-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111814689
2-[2-(tert-butylamino)ethyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111803382
1-(3,4-dimethoxyphenyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800791
1-(3,4-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]guanidine
CID 111805160
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
methyl 3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111097462

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-methylguanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-methylguanidine (CID 62381082) is 1-(3,4-dimethoxyphenyl)-2-methylguanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-methylguanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-methylguanidine is C/N=C(\N)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-methylguanidine?
The InChIKey is QKDIVMWGDQQLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-10(11)13-7-4-5-8(14-2)9(6-7)15-3/h4-6H,1-3H3,(H3,11,12,13).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-methylguanidine?
1-(3,4-dimethoxyphenyl)-2-methylguanidine has a molecular weight of 209.25 g/mol, XLogP of 1.06, 3 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-methylguanidine is sourced from PubChem (CID 62381082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).