1-(4-methoxy-2-methylphenyl)-2-propylguanidine

C12H19N3O — CID 62871923

IUPAC1-(4-methoxy-2-methylphenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccc(OC)cc1C
InChIInChI=1S/C12H19N3O/c1-4-7-14-12(13)15-11-6-5-10(16-3)8-9(11)2/h5-6,8H,4,7H2,1-3H3,(H3,13,14,15)
InChIKeyCTWVMWNQIJXUII-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)-2-propylguanidine

1-(4-methoxy-2-methylphenyl)-2-propylguanidine (PubChem CID 62871923) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-2-propylguanidine
PubChem CID62871923
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(4-methoxy-2-methylphenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccc(OC)cc1C
InChIInChI=1S/C12H19N3O/c1-4-7-14-12(13)15-11-6-5-10(16-3)8-9(11)2/h5-6,8H,4,7H2,1-3H3,(H3,13,14,15)
InChIKeyCTWVMWNQIJXUII-UHFFFAOYSA-N
XLogP2.14
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-chloro-5-methoxyphenyl)-2-propylguanidine
CID 62379099
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
1-(2-bromo-4-methylphenyl)-2-propylguanidine
CID 62380328
3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
CID 62872080
2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111022703
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
1-(2,5-dimethoxyphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085764
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
2-amino-N-(4-methoxy-2-methylphenyl)-2-methylpentanamide;hydrochloride
CID 119709502
1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
CID 111023903
2-but-3-ynyl-1-(2,5-dimethoxyphenyl)guanidine
CID 119147803
2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide
CID 62872444

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-propylguanidine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-propylguanidine (CID 62871923) is 1-(4-methoxy-2-methylphenyl)-2-propylguanidine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-2-propylguanidine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-2-propylguanidine is CCC/N=C(\N)Nc1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-2-propylguanidine?
The InChIKey is CTWVMWNQIJXUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-7-14-12(13)15-11-6-5-10(16-3)8-9(11)2/h5-6,8H,4,7H2,1-3H3,(H3,13,14,15).
What are the key properties of 1-(4-methoxy-2-methylphenyl)-2-propylguanidine?
1-(4-methoxy-2-methylphenyl)-2-propylguanidine has a molecular weight of 221.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-2-propylguanidine is sourced from PubChem (CID 62871923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).