1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine

C13H19N3O — CID 110029396

IUPAC1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
SMILESCOc1ccc(C/N=C(\N)N(C)C2CC2)cc1
InChIInChI=1S/C13H19N3O/c1-16(11-5-6-11)13(14)15-9-10-3-7-12(17-2)8-4-10/h3-4,7-8,11H,5-6,9H2,1-2H3,(H2,14,15)
InChIKeyMSUBPJQUHOJOIV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.60
Rot. Bonds4

About 1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine

1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine (PubChem CID 110029396) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
PubChem CID110029396
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
SMILESCOc1ccc(C/N=C(\N)N(C)C2CC2)cc1
InChIInChI=1S/C13H19N3O/c1-16(11-5-6-11)13(14)15-9-10-3-7-12(17-2)8-4-10/h3-4,7-8,11H,5-6,9H2,1-2H3,(H2,14,15)
InChIKeyMSUBPJQUHOJOIV-UHFFFAOYSA-N
XLogP1.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine 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-cyclopropyl-2-[(6-methoxynaphthalen-2-yl)methyl]-1-methylguanidine;hydroiodide
CID 110029683
1-cyclopropyl-1-methyl-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110029707
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
1-cyclopropyl-2-[(3-fluoro-5-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide
CID 110031861
1-cyclopropyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methylguanidine;hydroiodide
CID 110030646
ethyl 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]benzoate
CID 110030507
1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1-methylguanidine
CID 110030402
1-cyclopropyl-1-methyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110029615
4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide
CID 110029864
1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine
CID 110031755
1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029984
1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine
CID 110029556

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine (CID 110029396) is 1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine is COc1ccc(C/N=C(\N)N(C)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine?
The InChIKey is MSUBPJQUHOJOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(11-5-6-11)13(14)15-9-10-3-7-12(17-2)8-4-10/h3-4,7-8,11H,5-6,9H2,1-2H3,(H2,14,15).
What are the key properties of 1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine?
1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine has a molecular weight of 233.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine is sourced from PubChem (CID 110029396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).