2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine

C15H15BrN4O — CID 110338183

IUPAC2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cccc(OCc2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN4O/c16-13-6-4-11(5-7-13)10-21-14-3-1-2-12(8-14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/b19-9+
InChIKeyLHGNACDHYAUOGM-DJKKODMXSA-N
MW347.22 g/mol
LogP2.64
Rot. Bonds5

About 2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine

2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine (PubChem CID 110338183) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
PubChem CID110338183
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cccc(OCc2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN4O/c16-13-6-4-11(5-7-13)10-21-14-3-1-2-12(8-14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/b19-9+
InChIKeyLHGNACDHYAUOGM-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-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine
CID 74184183
2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590804
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592369
2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168592571
2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine
CID 168592270
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446
2-[[3-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590728
ethyl 2-[3-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 71670101
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 126375359
2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 98050626
2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine
CID 16728610

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine (CID 110338183) is 2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine is NC(N)=N/N=C/c1cccc(OCc2ccc(Br)cc2)c1.
What is the InChIKey of 2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine?
The InChIKey is LHGNACDHYAUOGM-DJKKODMXSA-N. The full InChI is InChI=1S/C15H15BrN4O/c16-13-6-4-11(5-7-13)10-21-14-3-1-2-12(8-14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/b19-9+.
What are the key properties of 2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine?
2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]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)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 110338183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).