2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine

C20H25FN4O2 — CID 143142829

IUPAC2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1cc(/C=N/N=C(N)N)ccc1OCc1c(C)c(C)c(F)c(C)c1C
InChIInChI=1S/C20H25FN4O2/c1-11-13(3)19(21)14(4)12(2)16(11)10-27-17-7-6-15(8-18(17)26-5)9-24-25-20(22)23/h6-9H,10H2,1-5H3,(H4,22,23,25)/b24-9+
InChIKeyITTVYHBMNMPEOS-PGGKNCGUSA-N
MW372.44 g/mol
LogP3.25
Rot. Bonds6

About 2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine

2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine (PubChem CID 143142829) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
PubChem CID143142829
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1cc(/C=N/N=C(N)N)ccc1OCc1c(C)c(C)c(F)c(C)c1C
InChIInChI=1S/C20H25FN4O2/c1-11-13(3)19(21)14(4)12(2)16(11)10-27-17-7-6-15(8-18(17)26-5)9-24-25-20(22)23/h6-9H,10H2,1-5H3,(H4,22,23,25)/b24-9+
InChIKeyITTVYHBMNMPEOS-PGGKNCGUSA-N
XLogP3.25
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.25
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

2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110339029
2-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110338402
2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592369
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine
CID 168590620
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
2-[(E)-[3-[5-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]pentoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 21195025
2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592710
2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 121456701
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
2-[[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168593056
methyl N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]carbamimidothioate
CID 171131364

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine (CID 143142829) is 2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine is COc1cc(/C=N/N=C(N)N)ccc1OCc1c(C)c(C)c(F)c(C)c1C.
What is the InChIKey of 2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The InChIKey is ITTVYHBMNMPEOS-PGGKNCGUSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-11-13(3)19(21)14(4)12(2)16(11)10-27-17-7-6-15(8-18(17)26-5)9-24-25-20(22)23/h6-9H,10H2,1-5H3,(H4,22,23,25)/b24-9+.
What are the key properties of 2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine has a molecular weight of 372.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine is sourced from PubChem (CID 143142829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).