1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine

C20H25N3O — CID 111282805

IUPAC1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine
SMILESC/N=C(/NC1CC1c1ccccc1)N(C)Cc1ccccc1OC
InChIInChI=1S/C20H25N3O/c1-21-20(22-18-13-17(18)15-9-5-4-6-10-15)23(2)14-16-11-7-8-12-19(16)24-3/h4-12,17-18H,13-14H2,1-3H3,(H,21,22)
InChIKeyGBWPCUIIKROWJK-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.26
Rot. Bonds5

About 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine

1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine (PubChem CID 111282805) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine
PubChem CID111282805
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine
SMILESC/N=C(/NC1CC1c1ccccc1)N(C)Cc1ccccc1OC
InChIInChI=1S/C20H25N3O/c1-21-20(22-18-13-17(18)15-9-5-4-6-10-15)23(2)14-16-11-7-8-12-19(16)24-3/h4-12,17-18H,13-14H2,1-3H3,(H,21,22)
InChIKeyGBWPCUIIKROWJK-UHFFFAOYSA-N
XLogP3.26
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.26
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-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine 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

3-[2-(2-fluorophenyl)cyclopropyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111281224
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea
CID 47764929
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 109454563
2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046155
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111281475
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111281239
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111282083
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-methylsulfanylethyl)guanidine
CID 111282719
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111281474
3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111281256
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-pentylguanidine;hydroiodide
CID 111281404
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111281134

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine (CID 111282805) is 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine is C/N=C(/NC1CC1c1ccccc1)N(C)Cc1ccccc1OC.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine?
The InChIKey is GBWPCUIIKROWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-21-20(22-18-13-17(18)15-9-5-4-6-10-15)23(2)14-16-11-7-8-12-19(16)24-3/h4-12,17-18H,13-14H2,1-3H3,(H,21,22).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine?
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine has a molecular weight of 323.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 111282805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).