2-[(2-hydroxyphenyl)methylamino]guanidine

C8H12N4O — CID 20563204

IUPAC2-[(2-hydroxyphenyl)methylamino]guanidine
SMILESNC(N)=NNCc1ccccc1O
InChIInChI=1S/C8H12N4O/c9-8(10)12-11-5-6-3-1-2-4-7(6)13/h1-4,11,13H,5H2,(H4,9,10,12)
InChIKeyIQUGJQNIBIEJKU-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.33
Rot. Bonds3

About 2-[(2-hydroxyphenyl)methylamino]guanidine

2-[(2-hydroxyphenyl)methylamino]guanidine (PubChem CID 20563204) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylamino]guanidine.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylamino]guanidine
PubChem CID20563204
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-[(2-hydroxyphenyl)methylamino]guanidine
SMILESNC(N)=NNCc1ccccc1O
InChIInChI=1S/C8H12N4O/c9-8(10)12-11-5-6-3-1-2-4-7(6)13/h1-4,11,13H,5H2,(H4,9,10,12)
InChIKeyIQUGJQNIBIEJKU-UHFFFAOYSA-N
XLogP-0.33
TPSA96.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylamino]guanidine?
The IUPAC name of 2-[(2-hydroxyphenyl)methylamino]guanidine (CID 20563204) is 2-[(2-hydroxyphenyl)methylamino]guanidine.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylamino]guanidine?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylamino]guanidine is NC(N)=NNCc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylamino]guanidine?
The InChIKey is IQUGJQNIBIEJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-8(10)12-11-5-6-3-1-2-4-7(6)13/h1-4,11,13H,5H2,(H4,9,10,12).
What are the key properties of 2-[(2-hydroxyphenyl)methylamino]guanidine?
2-[(2-hydroxyphenyl)methylamino]guanidine has a molecular weight of 180.21 g/mol, XLogP of -0.33, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylamino]guanidine is sourced from PubChem (CID 20563204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).