2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine

C14H12N6O5 — CID 168592206

IUPAC2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H12N6O5/c15-14(16)18-17-8-9-2-1-3-11(6-9)25-13-5-4-10(19(21)22)7-12(13)20(23)24/h1-8H,(H4,15,16,18)
InChIKeyQZZGIIHDABXHSG-UHFFFAOYSA-N
MW344.29 g/mol
LogP1.90
Rot. Bonds6

About 2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine

2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine (PubChem CID 168592206) has the molecular formula C14H12N6O5 and a molecular weight of 344.29 g/mol. Its IUPAC name is 2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine
PubChem CID168592206
Molecular FormulaC14H12N6O5
Molecular Weight344.29 g/mol
Exact Mass344.09
IUPAC Name2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H12N6O5/c15-14(16)18-17-8-9-2-1-3-11(6-9)25-13-5-4-10(19(21)22)7-12(13)20(23)24/h1-8H,(H4,15,16,18)
InChIKeyQZZGIIHDABXHSG-UHFFFAOYSA-N
XLogP1.90
TPSA172.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]propanedioate
CID 126090868
4-bromo-N-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]benzamide
CID 2250273
N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
CID 6257662
2-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]guanidine;hydrochloride
CID 118705656
2-chloro-N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 41339746
2-N-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627399
N-[2-[(2Z)-2-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6079817
N-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 27877625
(1S)-1-[3-(2,4-dinitrophenoxy)phenyl]ethanol
CID 52506797
2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine
CID 168591305
2-[(Z)-(3-nitro-4-propoxyphenyl)methylideneamino]guanidine
CID 110539913
[(E)-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]urea
CID 56726663

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine (CID 168592206) is 2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.
What is the InChIKey of 2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine?
The InChIKey is QZZGIIHDABXHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O5/c15-14(16)18-17-8-9-2-1-3-11(6-9)25-13-5-4-10(19(21)22)7-12(13)20(23)24/h1-8H,(H4,15,16,18).
What are the key properties of 2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine?
2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine has a molecular weight of 344.29 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).