1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine

C15H17N5O2 — CID 168602521

IUPAC1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine
SMILESCOc1ccc(Oc2ccccc2/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C15H17N5O2/c1-21-10-6-8-11(9-7-10)22-13-5-3-2-4-12(13)19-15(18)20-14(16)17/h2-9H,1H3,(H6,16,17,18,19,20)
InChIKeyGZBMEOCXWUILNH-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.71
Rot. Bonds4

About 1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine

1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine (PubChem CID 168602521) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine
PubChem CID168602521
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine
SMILESCOc1ccc(Oc2ccccc2/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C15H17N5O2/c1-21-10-6-8-11(9-7-10)22-13-5-3-2-4-12(13)19-15(18)20-14(16)17/h2-9H,1H3,(H6,16,17,18,19,20)
InChIKeyGZBMEOCXWUILNH-UHFFFAOYSA-N
XLogP1.71
TPSA121.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine
CID 168602475
1-(diaminomethylidene)-2-(2,5-dimethoxyphenyl)guanidine
CID 2968809
1-N',4-N'-bis[N'-(2-methoxyphenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
CID 134147776
1-(diaminomethylidene)-2-[2-(1-methoxypropan-2-yloxy)phenyl]guanidine
CID 168604205
2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-(diaminomethylidene)guanidine
CID 168601907
1-(diaminomethylidene)-2-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]guanidine
CID 168602079
1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine
CID 168604045
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
2-(4-methoxyphenoxy)phenol
CID 54145402
2-methyl-N'-(2-phenoxyphenyl)propanimidamide
CID 63174146
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine
CID 2730282

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine (CID 168602521) is 1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine is COc1ccc(Oc2ccccc2/N=C(\N)N=C(N)N)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine?
The InChIKey is GZBMEOCXWUILNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-21-10-6-8-11(9-7-10)22-13-5-3-2-4-12(13)19-15(18)20-14(16)17/h2-9H,1H3,(H6,16,17,18,19,20).
What are the key properties of 1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine?
1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine has a molecular weight of 299.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine is sourced from PubChem (CID 168602521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).