2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine

C16H17FN4O2 — CID 168592742

IUPAC2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1cccc(C=NN=C(N)N)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H17FN4O2/c1-22-14-4-2-3-12(9-20-21-16(18)19)15(14)23-10-11-5-7-13(17)8-6-11/h2-9H,10H2,1H3,(H4,18,19,21)
InChIKeyHBCYEBPORHMATB-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.02
Rot. Bonds6

About 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine

2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine (PubChem CID 168592742) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
PubChem CID168592742
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1cccc(C=NN=C(N)N)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H17FN4O2/c1-22-14-4-2-3-12(9-20-21-16(18)19)15(14)23-10-11-5-7-13(17)8-6-11/h2-9H,10H2,1H3,(H4,18,19,21)
InChIKeyHBCYEBPORHMATB-UHFFFAOYSA-N
XLogP2.02
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.02
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)-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110340285
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592741
2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168592546
N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 110339208
2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
CID 16728633
2-[(2-hexoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168590982
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592321
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
CID 110840783
[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 168529917
[(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110340334
2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine
CID 168592427
[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168535031

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine (CID 168592742) is 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine is COc1cccc(C=NN=C(N)N)c1OCc1ccc(F)cc1.
What is the InChIKey of 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The InChIKey is HBCYEBPORHMATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-22-14-4-2-3-12(9-20-21-16(18)19)15(14)23-10-11-5-7-13(17)8-6-11/h2-9H,10H2,1H3,(H4,18,19,21).
What are the key properties of 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine has a molecular weight of 316.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).