2-phenylguanidine

C7H9N3 — CID 16157

IUPAC2-phenylguanidine
SMILESNC(N)=Nc1ccccc1
InChIInChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
InChIKeyQRJZGVVKGFIGLI-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.59
Rot. Bonds1

About 2-phenylguanidine

2-phenylguanidine (PubChem CID 16157) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-phenylguanidine.

Molecular Properties

Compound Name2-phenylguanidine
PubChem CID16157
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-phenylguanidine
SMILESNC(N)=Nc1ccccc1
InChIInChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
InChIKeyQRJZGVVKGFIGLI-UHFFFAOYSA-N
XLogP0.59
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-phenylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aniline
CID 6115
P-Phenylenediamine
CID 7814
Phenyl Isothiocyanate
CID 7673
M-Phenylenediamine
CID 7935
Phenyl isocyanate
CID 7672
1,4-Diaminobenzene dihydrochloride
CID 12205
Benzenamine hydrochloride (1:1)
CID 8870
O-Phenylenediamine
CID 7243
Phenylbiguanide
CID 4780
o-Tolylbiguanide
CID 7155
Benzenamine, hydrobromide (1:1)
CID 68330
1-Phenylbiguanide monohydrochloride
CID 5932

Frequently Asked Questions

What is the IUPAC name of 2-phenylguanidine?
The IUPAC name of 2-phenylguanidine (CID 16157) is 2-phenylguanidine.
What is the SMILES notation for 2-phenylguanidine?
The canonical SMILES for 2-phenylguanidine is NC(N)=Nc1ccccc1.
What is the InChIKey of 2-phenylguanidine?
The InChIKey is QRJZGVVKGFIGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10).
What are the key properties of 2-phenylguanidine?
2-phenylguanidine has a molecular weight of 135.17 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylguanidine is sourced from PubChem (CID 16157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).