2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine

C10H13BrN4O — CID 9058052

IUPAC2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine
SMILESCOc1ccc(/C(C)=N\N=C(N)N)cc1Br
InChIInChI=1S/C10H13BrN4O/c1-6(14-15-10(12)13)7-3-4-9(16-2)8(11)5-7/h3-5H,1-2H3,(H4,12,13,15)/b14-6-
InChIKeyBLLHFFCSDGMWKQ-NSIKDUERSA-N
MW285.15 g/mol
LogP1.46
Rot. Bonds3

About 2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine

2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine (PubChem CID 9058052) has the molecular formula C10H13BrN4O and a molecular weight of 285.15 g/mol. Its IUPAC name is 2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine
PubChem CID9058052
Molecular FormulaC10H13BrN4O
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine
SMILESCOc1ccc(/C(C)=N\N=C(N)N)cc1Br
InChIInChI=1S/C10H13BrN4O/c1-6(14-15-10(12)13)7-3-4-9(16-2)8(11)5-7/h3-5H,1-2H3,(H4,12,13,15)/b14-6-
InChIKeyBLLHFFCSDGMWKQ-NSIKDUERSA-N
XLogP1.46
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 51.46
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-bromo-4-methoxyphenyl)-2-oxoacetamide
CID 116924423
2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine
CID 76872420
2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine
CID 8825931
N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline
CID 9014681
2-[(E)-1-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine;hydrochloride
CID 45261938
2-[(E)-1-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-4-hydroxyphenyl]ethylideneamino]guanidine
CID 135527034
N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide
CID 61361476
N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
CID 112550861
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
CID 5355637
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine (CID 9058052) is 2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine is COc1ccc(/C(C)=N\N=C(N)N)cc1Br.
What is the InChIKey of 2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine?
The InChIKey is BLLHFFCSDGMWKQ-NSIKDUERSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-6(14-15-10(12)13)7-3-4-9(16-2)8(11)5-7/h3-5H,1-2H3,(H4,12,13,15)/b14-6-.
What are the key properties of 2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine?
2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine has a molecular weight of 285.15 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 9058052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).