2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride

C14H15ClN4 — CID 87880611

IUPAC2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H14N4.ClH/c15-14(16)18-17-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;/h1-10H,(H4,15,16,18);1H/b17-10+;
InChIKeyZOWSXLOOOAEFET-LZMXEPDESA-N
MW274.76 g/mol
LogP2.38
Rot. Bonds3

About 2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride

2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 87880611) has the molecular formula C14H15ClN4 and a molecular weight of 274.76 g/mol. Its IUPAC name is 2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
PubChem CID87880611
Molecular FormulaC14H15ClN4
Molecular Weight274.76 g/mol
Exact Mass274.10
IUPAC Name2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H14N4.ClH/c15-14(16)18-17-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;/h1-10H,(H4,15,16,18);1H/b17-10+;
InChIKeyZOWSXLOOOAEFET-LZMXEPDESA-N
XLogP2.38
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 52.38
H-Bond Donors ≤ 52
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

2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine
CID 134136656
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine
CID 168590998
4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
CID 5356929
1-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
CID 89220059
1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
CID 148941526
2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine
CID 168591706
2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880634
2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168591423
[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl] benzoate
CID 45146424
3-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]prop-2-enoic acid
CID 54041306
2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
CID 6076678

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride (CID 87880611) is 2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is ZOWSXLOOOAEFET-LZMXEPDESA-N. The full InChI is InChI=1S/C14H14N4.ClH/c15-14(16)18-17-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;/h1-10H,(H4,15,16,18);1H/b17-10+;.
What are the key properties of 2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride?
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 274.76 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 87880611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).