2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine

C16H16Cl2N4O2 — CID 121456701

IUPAC2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1ccc(/C=N/N=C(N)N)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N4O2/c1-23-14-5-3-10(8-21-22-16(19)20)7-15(14)24-9-11-2-4-12(17)13(18)6-11/h2-8H,9H2,1H3,(H4,19,20,22)/b21-8+
InChIKeyYWCIKIFEDUIPER-ODCIPOBUSA-N
MW367.24 g/mol
LogP3.19
Rot. Bonds6

About 2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine

2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine (PubChem CID 121456701) has the molecular formula C16H16Cl2N4O2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
PubChem CID121456701
Molecular FormulaC16H16Cl2N4O2
Molecular Weight367.24 g/mol
Exact Mass366.07
IUPAC Name2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1ccc(/C=N/N=C(N)N)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N4O2/c1-23-14-5-3-10(8-21-22-16(19)20)7-15(14)24-9-11-2-4-12(17)13(18)6-11/h2-8H,9H2,1H3,(H4,19,20,22)/b21-8+
InChIKeyYWCIKIFEDUIPER-ODCIPOBUSA-N
XLogP3.19
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.19
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'}

Analyze 2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592710
2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592369
2-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110338402
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
2-[(E)-[3-[5-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]pentoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 21195025
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340188
2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110339029
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
2-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590615
N-[[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-(trifluoromethyl)aniline
CID 110841858
2-[(E)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine;dihydroxy(oxo)azanium
CID 126960442
2-[2-[[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110841250

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine (CID 121456701) is 2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine is COc1ccc(/C=N/N=C(N)N)cc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine?
The InChIKey is YWCIKIFEDUIPER-ODCIPOBUSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2/c1-23-14-5-3-10(8-21-22-16(19)20)7-15(14)24-9-11-2-4-12(17)13(18)6-11/h2-8H,9H2,1H3,(H4,19,20,22)/b21-8+.
What are the key properties of 2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine?
2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine has a molecular weight of 367.24 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine is sourced from PubChem (CID 121456701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).