2-[2-(hydroxymethyl)phenyl]guanidine

C8H11N3O — CID 23103995

IUPAC2-[2-(hydroxymethyl)phenyl]guanidine
SMILESNC(N)=Nc1ccccc1CO
InChIInChI=1S/C8H11N3O/c9-8(10)11-7-4-2-1-3-6(7)5-12/h1-4,12H,5H2,(H4,9,10,11)
InChIKeyGDHGAJKCLRPRMA-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.08
Rot. Bonds2

About 2-[2-(hydroxymethyl)phenyl]guanidine

2-[2-(hydroxymethyl)phenyl]guanidine (PubChem CID 23103995) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)phenyl]guanidine
PubChem CID23103995
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-[2-(hydroxymethyl)phenyl]guanidine
SMILESNC(N)=Nc1ccccc1CO
InChIInChI=1S/C8H11N3O/c9-8(10)11-7-4-2-1-3-6(7)5-12/h1-4,12H,5H2,(H4,9,10,11)
InChIKeyGDHGAJKCLRPRMA-UHFFFAOYSA-N
XLogP0.08
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.08
H-Bond Donors ≤ 53
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-[2-(hydroxymethyl)phenyl]guanidine?
The IUPAC name of 2-[2-(hydroxymethyl)phenyl]guanidine (CID 23103995) is 2-[2-(hydroxymethyl)phenyl]guanidine.
What is the SMILES notation for 2-[2-(hydroxymethyl)phenyl]guanidine?
The canonical SMILES for 2-[2-(hydroxymethyl)phenyl]guanidine is NC(N)=Nc1ccccc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)phenyl]guanidine?
The InChIKey is GDHGAJKCLRPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-8(10)11-7-4-2-1-3-6(7)5-12/h1-4,12H,5H2,(H4,9,10,11).
What are the key properties of 2-[2-(hydroxymethyl)phenyl]guanidine?
2-[2-(hydroxymethyl)phenyl]guanidine has a molecular weight of 165.20 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)phenyl]guanidine is sourced from PubChem (CID 23103995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).