2-benzyl-1-phenylguanidine

C14H15N3 — CID 12910062

IUPAC2-benzyl-1-phenylguanidine
SMILESN/C(=N\Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H15N3/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,15,16,17)
InChIKeyQCKAIBFKGRYYAX-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.61
Rot. Bonds3

About 2-benzyl-1-phenylguanidine

2-benzyl-1-phenylguanidine (PubChem CID 12910062) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-benzyl-1-phenylguanidine.

Molecular Properties

Compound Name2-benzyl-1-phenylguanidine
PubChem CID12910062
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2-benzyl-1-phenylguanidine
SMILESN/C(=N\Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H15N3/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,15,16,17)
InChIKeyQCKAIBFKGRYYAX-UHFFFAOYSA-N
XLogP2.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.61
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-benzyl-1-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

1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
2-benzyl-1-(4-methylsulfonylphenyl)guanidine
CID 130567654
2-benzyl-1-[4-[4-[4-[(N'-benzylcarbamimidoyl)amino]phenyl]piperazin-1-yl]phenyl]guanidine;hydrochloride
CID 11757705
N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110917647
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
1-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea
CID 110915490
2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110893252
2-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110924612
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 111117542

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-phenylguanidine?
The IUPAC name of 2-benzyl-1-phenylguanidine (CID 12910062) is 2-benzyl-1-phenylguanidine.
What is the SMILES notation for 2-benzyl-1-phenylguanidine?
The canonical SMILES for 2-benzyl-1-phenylguanidine is N/C(=N\Cc1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-benzyl-1-phenylguanidine?
The InChIKey is QCKAIBFKGRYYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,15,16,17).
What are the key properties of 2-benzyl-1-phenylguanidine?
2-benzyl-1-phenylguanidine has a molecular weight of 225.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-phenylguanidine is sourced from PubChem (CID 12910062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).