2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine

C9H10Cl2N4O — CID 66842140

IUPAC2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1c(Cl)cc(/C=N\N=C(N)N)cc1Cl
InChIInChI=1S/C9H10Cl2N4O/c1-16-8-6(10)2-5(3-7(8)11)4-14-15-9(12)13/h2-4H,1H3,(H4,12,13,15)/b14-4-
InChIKeyAMWSMNNNGWOGPC-CPSFFCFKSA-N
MW261.11 g/mol
LogP1.61
Rot. Bonds3

About 2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine

2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine (PubChem CID 66842140) has the molecular formula C9H10Cl2N4O and a molecular weight of 261.11 g/mol. Its IUPAC name is 2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine
PubChem CID66842140
Molecular FormulaC9H10Cl2N4O
Molecular Weight261.11 g/mol
Exact Mass260.02
IUPAC Name2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1c(Cl)cc(/C=N\N=C(N)N)cc1Cl
InChIInChI=1S/C9H10Cl2N4O/c1-16-8-6(10)2-5(3-7(8)11)4-14-15-9(12)13/h2-4H,1H3,(H4,12,13,15)/b14-4-
InChIKeyAMWSMNNNGWOGPC-CPSFFCFKSA-N
XLogP1.61
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.61
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-[(3,4,5-trichlorophenyl)methylideneamino]guanidine
CID 140863883
2-[(3,5-dichlorophenyl)methylideneamino]guanidine
CID 66842284
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590615
3-[(diaminomethylidenehydrazinylidene)methyl]-5-methoxybenzoic acid
CID 168592799
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
2-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]guanidine
CID 168592761
2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
CID 140931951
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
2-[(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]guanidine
CID 168592039
2-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110338402
2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592710

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine (CID 66842140) is 2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine is COc1c(Cl)cc(/C=N\N=C(N)N)cc1Cl.
What is the InChIKey of 2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine?
The InChIKey is AMWSMNNNGWOGPC-CPSFFCFKSA-N. The full InChI is InChI=1S/C9H10Cl2N4O/c1-16-8-6(10)2-5(3-7(8)11)4-14-15-9(12)13/h2-4H,1H3,(H4,12,13,15)/b14-4-.
What are the key properties of 2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine?
2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine has a molecular weight of 261.11 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 66842140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).