2-(4-benzylphenyl)guanidine;hydrochloride

C14H16ClN3 — CID 52946573

IUPAC2-(4-benzylphenyl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H15N3.ClH/c15-14(16)17-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;/h1-9H,10H2,(H4,15,16,17);1H
InChIKeyIOIFADAKHSJRFR-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.60
Rot. Bonds3

About 2-(4-benzylphenyl)guanidine;hydrochloride

2-(4-benzylphenyl)guanidine;hydrochloride (PubChem CID 52946573) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-(4-benzylphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(4-benzylphenyl)guanidine;hydrochloride
PubChem CID52946573
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-(4-benzylphenyl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H15N3.ClH/c15-14(16)17-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;/h1-9H,10H2,(H4,15,16,17);1H
InChIKeyIOIFADAKHSJRFR-UHFFFAOYSA-N
XLogP2.60
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.60
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-(4-benzylphenyl)guanidine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenyl)guanidine;hydrochloride?
The IUPAC name of 2-(4-benzylphenyl)guanidine;hydrochloride (CID 52946573) is 2-(4-benzylphenyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(4-benzylphenyl)guanidine;hydrochloride?
The canonical SMILES for 2-(4-benzylphenyl)guanidine;hydrochloride is Cl.NC(N)=Nc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzylphenyl)guanidine;hydrochloride?
The InChIKey is IOIFADAKHSJRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3.ClH/c15-14(16)17-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;/h1-9H,10H2,(H4,15,16,17);1H.
What are the key properties of 2-(4-benzylphenyl)guanidine;hydrochloride?
2-(4-benzylphenyl)guanidine;hydrochloride has a molecular weight of 261.76 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenyl)guanidine;hydrochloride is sourced from PubChem (CID 52946573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).