2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride

C15H17ClN4O — CID 134130081

IUPAC2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H16N4O.ClH/c16-15(17)19-18-10-13-7-4-8-14(9-13)20-11-12-5-2-1-3-6-12;/h1-10H,11H2,(H4,16,17,19);1H/b18-10+;
InChIKeyZWHMHPOOPIAWTE-DYMYMWKRSA-N
MW304.78 g/mol
LogP2.29
Rot. Bonds5

About 2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride

2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 134130081) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride
PubChem CID134130081
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H16N4O.ClH/c16-15(17)19-18-10-13-7-4-8-14(9-13)20-11-12-5-2-1-3-6-12;/h1-10H,11H2,(H4,16,17,19);1H/b18-10+;
InChIKeyZWHMHPOOPIAWTE-DYMYMWKRSA-N
XLogP2.29
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride (CID 134130081) is 2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C/c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is ZWHMHPOOPIAWTE-DYMYMWKRSA-N. The full InChI is InChI=1S/C15H16N4O.ClH/c16-15(17)19-18-10-13-7-4-8-14(9-13)20-11-12-5-2-1-3-6-12;/h1-10H,11H2,(H4,16,17,19);1H/b18-10+;.
What are the key properties of 2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride?
2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 304.78 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 134130081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).