1-anilino-2-phenylguanidine

C13H14N4 — CID 18758781

IUPAC1-anilino-2-phenylguanidine
SMILESN/C(=N\c1ccccc1)NNc1ccccc1
InChIInChI=1S/C13H14N4/c14-13(15-11-7-3-1-4-8-11)17-16-12-9-5-2-6-10-12/h1-10,16H,(H3,14,15,17)
InChIKeyYDSNPZWNIXJHJT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.25
Rot. Bonds3

About 1-anilino-2-phenylguanidine

1-anilino-2-phenylguanidine (PubChem CID 18758781) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-anilino-2-phenylguanidine.

Molecular Properties

Compound Name1-anilino-2-phenylguanidine
PubChem CID18758781
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1-anilino-2-phenylguanidine
SMILESN/C(=N\c1ccccc1)NNc1ccccc1
InChIInChI=1S/C13H14N4/c14-13(15-11-7-3-1-4-8-11)17-16-12-9-5-2-6-10-12/h1-10,16H,(H3,14,15,17)
InChIKeyYDSNPZWNIXJHJT-UHFFFAOYSA-N
XLogP2.25
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.25
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

zinc;1,2-diphenylguanidine;oxygen(2-);sulfane;hydrate
CID 172780752
1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine
CID 57051109
bis(2-phenylguanidine);dihydrochloride
CID 160984545
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine
CID 13451380
1-hydroxy-2-phenylguanidine;nitric acid
CID 173298305
1,2-diphenylhydrazine;hydrazine
CID 161098943
1,3-diamino-2-phenylguanidine;hydroiodide
CID 12727461
1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine
CID 160707040
1,2-bis(3-phenylmethoxyphenyl)guanidine
CID 22675624
N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide
CID 137229272
1-N'-anilino-2-N'-hydroxyethanediimidamide
CID 135408234

Frequently Asked Questions

What is the IUPAC name of 1-anilino-2-phenylguanidine?
The IUPAC name of 1-anilino-2-phenylguanidine (CID 18758781) is 1-anilino-2-phenylguanidine.
What is the SMILES notation for 1-anilino-2-phenylguanidine?
The canonical SMILES for 1-anilino-2-phenylguanidine is N/C(=N\c1ccccc1)NNc1ccccc1.
What is the InChIKey of 1-anilino-2-phenylguanidine?
The InChIKey is YDSNPZWNIXJHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-13(15-11-7-3-1-4-8-11)17-16-12-9-5-2-6-10-12/h1-10,16H,(H3,14,15,17).
What are the key properties of 1-anilino-2-phenylguanidine?
1-anilino-2-phenylguanidine has a molecular weight of 226.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-2-phenylguanidine is sourced from PubChem (CID 18758781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).