2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine

C16H18N4O3 — CID 44572998

IUPAC2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
SMILESCOc1ccc(OC)c(Oc2ccccc2/C=N/N=C(N)N)c1
InChIInChI=1S/C16H18N4O3/c1-21-12-7-8-14(22-2)15(9-12)23-13-6-4-3-5-11(13)10-19-20-16(17)18/h3-10H,1-2H3,(H4,17,18,20)/b19-10+
InChIKeyUQWUNLYRLXZACF-VXLYETTFSA-N
MW314.35 g/mol
LogP2.10
Rot. Bonds6

About 2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine

2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine (PubChem CID 44572998) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
PubChem CID44572998
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
SMILESCOc1ccc(OC)c(Oc2ccccc2/C=N/N=C(N)N)c1
InChIInChI=1S/C16H18N4O3/c1-21-12-7-8-14(22-2)15(9-12)23-13-6-4-3-5-11(13)10-19-20-16(17)18/h3-10H,1-2H3,(H4,17,18,20)/b19-10+
InChIKeyUQWUNLYRLXZACF-VXLYETTFSA-N
XLogP2.10
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine
CID 168591768
2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine
CID 168590573
2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine
CID 168591904
2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 168590530
2-[(E)-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]guanidine
CID 44572744
1,4-dimethoxy-2-(2-methylphenoxy)benzene
CID 173173641
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173058134
2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine
CID 168591738
2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168592546
4-amino-N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 44662339
N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22684938
2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine
CID 168591706

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine (CID 44572998) is 2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine is COc1ccc(OC)c(Oc2ccccc2/C=N/N=C(N)N)c1.
What is the InChIKey of 2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine?
The InChIKey is UQWUNLYRLXZACF-VXLYETTFSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-21-12-7-8-14(22-2)15(9-12)23-13-6-4-3-5-11(13)10-19-20-16(17)18/h3-10H,1-2H3,(H4,17,18,20)/b19-10+.
What are the key properties of 2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine?
2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine has a molecular weight of 314.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 44572998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).