1-benzyl-1-phenylguanidine;hydrochloride

C14H16ClN3 — CID 9459

IUPAC1-benzyl-1-phenylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N3.ClH/c15-14(16)17(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10H,11H2,(H3,15,16);1H
InChIKeyGFQILUAFALJKKE-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.01
Rot. Bonds3

About 1-benzyl-1-phenylguanidine;hydrochloride

1-benzyl-1-phenylguanidine;hydrochloride (PubChem CID 9459) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-benzyl-1-phenylguanidine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-1-phenylguanidine;hydrochloride
PubChem CID9459
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-benzyl-1-phenylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N3.ClH/c15-14(16)17(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10H,11H2,(H3,15,16);1H
InChIKeyGFQILUAFALJKKE-UHFFFAOYSA-N
XLogP3.01
TPSA53.11 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 ≤ 53.01
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'}

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Related Compounds

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N,N'-Bis-(4-butyl-phenyl)-guanidine
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2,3-Dihydro-indole-1-carboxamidine
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1(2H)-Quinolinecarboximidamide, 3,4-dihydro-2-methyl-N-phenyl-, monohydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-phenylguanidine;hydrochloride?
The IUPAC name of 1-benzyl-1-phenylguanidine;hydrochloride (CID 9459) is 1-benzyl-1-phenylguanidine;hydrochloride.
What is the SMILES notation for 1-benzyl-1-phenylguanidine;hydrochloride?
The canonical SMILES for 1-benzyl-1-phenylguanidine;hydrochloride is Cl.[H]/N=C(\N)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-1-phenylguanidine;hydrochloride?
The InChIKey is GFQILUAFALJKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3.ClH/c15-14(16)17(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10H,11H2,(H3,15,16);1H.
What are the key properties of 1-benzyl-1-phenylguanidine;hydrochloride?
1-benzyl-1-phenylguanidine;hydrochloride has a molecular weight of 261.76 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-phenylguanidine;hydrochloride is sourced from PubChem (CID 9459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).