2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine

C18H21N3O — CID 111046155

IUPAC2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine
SMILESCOc1ccccc1C/N=C(\N)NC1CC1c1ccccc1
InChIInChI=1S/C18H21N3O/c1-22-17-10-6-5-9-14(17)12-20-18(19)21-16-11-15(16)13-7-3-2-4-8-13/h2-10,15-16H,11-12H2,1H3,(H3,19,20,21)
InChIKeyIFKXWICCNUTEBJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.66
Rot. Bonds5

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

2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine (PubChem CID 111046155) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine
PubChem CID111046155
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine
SMILESCOc1ccccc1C/N=C(\N)NC1CC1c1ccccc1
InChIInChI=1S/C18H21N3O/c1-22-17-10-6-5-9-14(17)12-20-18(19)21-16-11-15(16)13-7-3-2-4-8-13/h2-10,15-16H,11-12H2,1H3,(H3,19,20,21)
InChIKeyIFKXWICCNUTEBJ-UHFFFAOYSA-N
XLogP2.66
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.66
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-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine
CID 120671482
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046099
1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide
CID 154838813
1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 120663283
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine
CID 111282805
2-(2-methylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110912321
1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 120671597
2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine
CID 111046101
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea
CID 47764929
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111558522
2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine
CID 67531074
1-[(8-hydroxy-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanyl)methyl]-2-[(2-methoxyphenyl)methyl]guanidine
CID 120603016

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine (CID 111046155) is 2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine is COc1ccccc1C/N=C(\N)NC1CC1c1ccccc1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine?
The InChIKey is IFKXWICCNUTEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-22-17-10-6-5-9-14(17)12-20-18(19)21-16-11-15(16)13-7-3-2-4-8-13/h2-10,15-16H,11-12H2,1H3,(H3,19,20,21).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine?
2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine has a molecular weight of 295.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 111046155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).