1-cyano-2-(4-phenylmethoxyphenyl)guanidine

C15H14N4O — CID 142011249

IUPAC1-cyano-2-(4-phenylmethoxyphenyl)guanidine
SMILESN#CN/C(N)=N/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H14N4O/c16-11-18-15(17)19-13-6-8-14(9-7-13)20-10-12-4-2-1-3-5-12/h1-9H,10H2,(H3,17,18,19)
InChIKeyJDFOISJRLDENOR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.28
Rot. Bonds4

About 1-cyano-2-(4-phenylmethoxyphenyl)guanidine

1-cyano-2-(4-phenylmethoxyphenyl)guanidine (PubChem CID 142011249) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-cyano-2-(4-phenylmethoxyphenyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(4-phenylmethoxyphenyl)guanidine
PubChem CID142011249
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-cyano-2-(4-phenylmethoxyphenyl)guanidine
SMILESN#CN/C(N)=N/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H14N4O/c16-11-18-15(17)19-13-6-8-14(9-7-13)20-10-12-4-2-1-3-5-12/h1-9H,10H2,(H3,17,18,19)
InChIKeyJDFOISJRLDENOR-UHFFFAOYSA-N
XLogP2.28
TPSA83.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine
CID 22675851
methyl N-cyano-N'-[3-(4-phenylmethoxyphenyl)phenyl]carbamimidothioate
CID 169363745
1,2-bis(3-phenylmethoxyphenyl)guanidine
CID 22675624
methyl-(4-phenylmethoxyphenyl)diazene
CID 123516249
2-(1-benzyl-2,3-dihydroindol-5-yl)-1-cyanoguanidine
CID 176548552
1-cyano-2-(4-formylphenyl)guanidine
CID 88524343
4-phenylmethoxyaniline
CID 159966727
4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 792365
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
CID 15557528
4-phenylmethoxybenzoic acid
CID 68896574
2-(4-phenylmethoxyphenyl)ethanethioamide
CID 24702892
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(4-phenylmethoxyphenyl)guanidine?
The IUPAC name of 1-cyano-2-(4-phenylmethoxyphenyl)guanidine (CID 142011249) is 1-cyano-2-(4-phenylmethoxyphenyl)guanidine.
What is the SMILES notation for 1-cyano-2-(4-phenylmethoxyphenyl)guanidine?
The canonical SMILES for 1-cyano-2-(4-phenylmethoxyphenyl)guanidine is N#CN/C(N)=N/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-cyano-2-(4-phenylmethoxyphenyl)guanidine?
The InChIKey is JDFOISJRLDENOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-11-18-15(17)19-13-6-8-14(9-7-13)20-10-12-4-2-1-3-5-12/h1-9H,10H2,(H3,17,18,19).
What are the key properties of 1-cyano-2-(4-phenylmethoxyphenyl)guanidine?
1-cyano-2-(4-phenylmethoxyphenyl)guanidine has a molecular weight of 266.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(4-phenylmethoxyphenyl)guanidine is sourced from PubChem (CID 142011249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).