2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine

C15H15BrN4O — CID 16728610

IUPAC2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C15H15BrN4O/c16-13-6-7-14(12(8-13)9-19-20-15(17)18)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H4,17,18,20)/b19-9+
InChIKeyCNNMFPOACGPYMP-DJKKODMXSA-N
MW347.22 g/mol
LogP2.64
Rot. Bonds5

About 2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine

2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine (PubChem CID 16728610) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine
PubChem CID16728610
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C15H15BrN4O/c16-13-6-7-14(12(8-13)9-19-20-15(17)18)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H4,17,18,20)/b19-9+
InChIKeyCNNMFPOACGPYMP-DJKKODMXSA-N
XLogP2.64
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.64
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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Related Compounds

2-[(E)-[5-bromo-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 16728613
benzyl N'-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]carbamimidothioate
CID 168612630
2-[(5-bromo-2-pentoxyphenyl)methylideneamino]guanidine
CID 168590980
2-[[5-bromo-2-(3-cyanopropoxy)phenyl]methylideneamino]guanidine
CID 168592171
2-[[5-bromo-2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168590749
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine
CID 76872439
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 5415702
ethyl 2-[4-bromo-2-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 168590773
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126208760
N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide
CID 51062342
N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6263316

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine (CID 16728610) is 2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine is NC(N)=N/N=C/c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine?
The InChIKey is CNNMFPOACGPYMP-DJKKODMXSA-N. The full InChI is InChI=1S/C15H15BrN4O/c16-13-6-7-14(12(8-13)9-19-20-15(17)18)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H4,17,18,20)/b19-9+.
What are the key properties of 2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine?
2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine has a molecular weight of 347.22 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 16728610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).