2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine

C20H25N3O2 — CID 111046099

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine
SMILESCOc1ccc(CC/N=C(\N)NC2CC2c2ccccc2)cc1OC
InChIInChI=1S/C20H25N3O2/c1-24-18-9-8-14(12-19(18)25-2)10-11-22-20(21)23-17-13-16(17)15-6-4-3-5-7-15/h3-9,12,16-17H,10-11,13H2,1-2H3,(H3,21,22,23)
InChIKeyZKULLRXUOIFYNJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.71
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine

2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine (PubChem CID 111046099) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine
PubChem CID111046099
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine
SMILESCOc1ccc(CC/N=C(\N)NC2CC2c2ccccc2)cc1OC
InChIInChI=1S/C20H25N3O2/c1-24-18-9-8-14(12-19(18)25-2)10-11-22-20(21)23-17-13-16(17)15-6-4-3-5-7-15/h3-9,12,16-17H,10-11,13H2,1-2H3,(H3,21,22,23)
InChIKeyZKULLRXUOIFYNJ-UHFFFAOYSA-N
XLogP2.71
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.71
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

2-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111818931
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111203097
2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046155
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 2862508
2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine
CID 111046101
N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
CID 10857049
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111028429
1-tert-butyl-2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 110912009
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-naphthalen-2-ylethyl)guanidine;hydroiodide
CID 111069787
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine
CID 120671482
benzyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate
CID 8773671
(2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide
CID 6341030

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine (CID 111046099) is 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine is COc1ccc(CC/N=C(\N)NC2CC2c2ccccc2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine?
The InChIKey is ZKULLRXUOIFYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-24-18-9-8-14(12-19(18)25-2)10-11-22-20(21)23-17-13-16(17)15-6-4-3-5-7-15/h3-9,12,16-17H,10-11,13H2,1-2H3,(H3,21,22,23).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine?
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine has a molecular weight of 339.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 111046099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).