1-(2-methoxyphenyl)-2-prop-2-ynylguanidine

C11H13N3O — CID 111031544

IUPAC1-(2-methoxyphenyl)-2-prop-2-ynylguanidine
SMILESC#CC/N=C(\N)Nc1ccccc1OC
InChIInChI=1S/C11H13N3O/c1-3-8-13-11(12)14-9-6-4-5-7-10(9)15-2/h1,4-7H,8H2,2H3,(H3,12,13,14)
InChIKeyILFBOWYIFXQWHG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.05
Rot. Bonds3

About 1-(2-methoxyphenyl)-2-prop-2-ynylguanidine

1-(2-methoxyphenyl)-2-prop-2-ynylguanidine (PubChem CID 111031544) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-prop-2-ynylguanidine
PubChem CID111031544
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-(2-methoxyphenyl)-2-prop-2-ynylguanidine
SMILESC#CC/N=C(\N)Nc1ccccc1OC
InChIInChI=1S/C11H13N3O/c1-3-8-13-11(12)14-9-6-4-5-7-10(9)15-2/h1,4-7H,8H2,2H3,(H3,12,13,14)
InChIKeyILFBOWYIFXQWHG-UHFFFAOYSA-N
XLogP1.05
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.05
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
1-(2-methoxyphenyl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033043
1-(2-methoxyphenyl)-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111063389
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046321
2-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036195
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111090275
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111100183
1-(2-methoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine
CID 111820248
1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030682
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034020

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-prop-2-ynylguanidine?
The IUPAC name of 1-(2-methoxyphenyl)-2-prop-2-ynylguanidine (CID 111031544) is 1-(2-methoxyphenyl)-2-prop-2-ynylguanidine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-prop-2-ynylguanidine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-prop-2-ynylguanidine is C#CC/N=C(\N)Nc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-2-prop-2-ynylguanidine?
The InChIKey is ILFBOWYIFXQWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-8-13-11(12)14-9-6-4-5-7-10(9)15-2/h1,4-7H,8H2,2H3,(H3,12,13,14).
What are the key properties of 1-(2-methoxyphenyl)-2-prop-2-ynylguanidine?
1-(2-methoxyphenyl)-2-prop-2-ynylguanidine has a molecular weight of 203.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-prop-2-ynylguanidine is sourced from PubChem (CID 111031544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).