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

C17H18Cl2N4O2 — CID 168592322

IUPAC2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine
SMILESCCOc1cc(C=NN=C(N)N)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N4O2/c1-2-24-16-7-11(9-22-23-17(20)21)3-6-15(16)25-10-12-4-5-13(18)8-14(12)19/h3-9H,2,10H2,1H3,(H4,20,21,23)
InChIKeyVGYSSQJLNGUUDS-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.58
Rot. Bonds7

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

2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine (PubChem CID 168592322) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine
PubChem CID168592322
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine
SMILESCCOc1cc(C=NN=C(N)N)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N4O2/c1-2-24-16-7-11(9-22-23-17(20)21)3-6-15(16)25-10-12-4-5-13(18)8-14(12)19/h3-9H,2,10H2,1H3,(H4,20,21,23)
InChIKeyVGYSSQJLNGUUDS-UHFFFAOYSA-N
XLogP3.58
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.58
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

(NZ)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 5443374
methyl N'-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]carbamimidothioate
CID 110510323
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine
CID 126207064
2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592710
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 96867311
2-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 112538748
2-[(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 168590622
1-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-ethylthiourea
CID 6155741
dimethyl 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]propanedioate
CID 1362230
2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126216101

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine (CID 168592322) is 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine is CCOc1cc(C=NN=C(N)N)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine?
The InChIKey is VGYSSQJLNGUUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-2-24-16-7-11(9-22-23-17(20)21)3-6-15(16)25-10-12-4-5-13(18)8-14(12)19/h3-9H,2,10H2,1H3,(H4,20,21,23).
What are the key properties of 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine?
2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine has a molecular weight of 381.26 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).