2-(4-methoxyphenyl)guanidine

C8H11N3O — CID 3621644

IUPAC2-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N=C(N)N)cc1
InChIInChI=1S/C8H11N3O/c1-12-7-4-2-6(3-5-7)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
InChIKeyVGFALHATLLBXIT-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.60
Rot. Bonds2

About 2-(4-methoxyphenyl)guanidine

2-(4-methoxyphenyl)guanidine (PubChem CID 3621644) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)guanidine
PubChem CID3621644
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N=C(N)N)cc1
InChIInChI=1S/C8H11N3O/c1-12-7-4-2-6(3-5-7)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
InChIKeyVGFALHATLLBXIT-UHFFFAOYSA-N
XLogP0.60
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.60
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-(4-methoxyphenyl)guanidine (CID 3621644) is 2-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-(4-methoxyphenyl)guanidine is COc1ccc(N=C(N)N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)guanidine?
The InChIKey is VGFALHATLLBXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-12-7-4-2-6(3-5-7)11-8(9)10/h2-5H,1H3,(H4,9,10,11).
What are the key properties of 2-(4-methoxyphenyl)guanidine?
2-(4-methoxyphenyl)guanidine has a molecular weight of 165.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 3621644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).