2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine

C16H15Cl3N4O2 — CID 168590615

IUPAC2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine
SMILESCOc1ccc(C=NN=C(N)N)cc1COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl3N4O2/c1-24-14-3-2-9(7-22-23-16(20)21)4-10(14)8-25-15-12(18)5-11(17)6-13(15)19/h2-7H,8H2,1H3,(H4,20,21,23)
InChIKeySLTYFVJFWAWNDI-UHFFFAOYSA-N
MW401.68 g/mol
LogP3.84
Rot. Bonds6

About 2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine

2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine (PubChem CID 168590615) has the molecular formula C16H15Cl3N4O2 and a molecular weight of 401.68 g/mol. Its IUPAC name is 2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine
PubChem CID168590615
Molecular FormulaC16H15Cl3N4O2
Molecular Weight401.68 g/mol
Exact Mass400.03
IUPAC Name2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine
SMILESCOc1ccc(C=NN=C(N)N)cc1COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl3N4O2/c1-24-14-3-2-9(7-22-23-16(20)21)4-10(14)8-25-15-12(18)5-11(17)6-13(15)19/h2-7H,8H2,1H3,(H4,20,21,23)
InChIKeySLTYFVJFWAWNDI-UHFFFAOYSA-N
XLogP3.84
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.68
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-amino-N'-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 3379903
2-[(E)-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 17387507
2-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 4654556
2-[[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168593056
2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592710
2-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592187
2-[(E)-[3-[5-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]pentoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 21195025
2-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110338402
2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 121456701
2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine
CID 168592322
2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine
CID 66842140
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592321

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine (CID 168590615) is 2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine is COc1ccc(C=NN=C(N)N)cc1COc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine?
The InChIKey is SLTYFVJFWAWNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N4O2/c1-24-14-3-2-9(7-22-23-16(20)21)4-10(14)8-25-15-12(18)5-11(17)6-13(15)19/h2-7H,8H2,1H3,(H4,20,21,23).
What are the key properties of 2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine?
2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine has a molecular weight of 401.68 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).