2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine

C16H18N4O3 — CID 44572999

IUPAC2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
SMILESCOc1cc(OC)cc(Oc2ccccc2/C=N/N=C(N)N)c1
InChIInChI=1S/C16H18N4O3/c1-21-12-7-13(22-2)9-14(8-12)23-15-6-4-3-5-11(15)10-19-20-16(17)18/h3-10H,1-2H3,(H4,17,18,20)/b19-10+
InChIKeyTZYTYLSZLVGHQD-VXLYETTFSA-N
MW314.35 g/mol
LogP2.10
Rot. Bonds6

About 2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine

2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine (PubChem CID 44572999) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
PubChem CID44572999
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
SMILESCOc1cc(OC)cc(Oc2ccccc2/C=N/N=C(N)N)c1
InChIInChI=1S/C16H18N4O3/c1-21-12-7-13(22-2)9-14(8-12)23-15-6-4-3-5-11(15)10-19-20-16(17)18/h3-10H,1-2H3,(H4,17,18,20)/b19-10+
InChIKeyTZYTYLSZLVGHQD-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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine (CID 44572999) is 2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine is COc1cc(OC)cc(Oc2ccccc2/C=N/N=C(N)N)c1.
What is the InChIKey of 2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine?
The InChIKey is TZYTYLSZLVGHQD-VXLYETTFSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-21-12-7-13(22-2)9-14(8-12)23-15-6-4-3-5-11(15)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-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine?
2-[(E)-[2-(3,5-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-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 44572999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).