2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine

C16H15N5O — CID 168590711

IUPAC2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESN#Cc1cccc(COc2ccc(C=NN=C(N)N)cc2)c1
InChIInChI=1S/C16H15N5O/c17-9-13-2-1-3-14(8-13)11-22-15-6-4-12(5-7-15)10-20-21-16(18)19/h1-8,10H,11H2,(H4,18,19,21)
InChIKeyADIHTIMQBXNETO-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.74
Rot. Bonds5

About 2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine

2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine (PubChem CID 168590711) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
PubChem CID168590711
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESN#Cc1cccc(COc2ccc(C=NN=C(N)N)cc2)c1
InChIInChI=1S/C16H15N5O/c17-9-13-2-1-3-14(8-13)11-22-15-6-4-12(5-7-15)10-20-21-16(18)19/h1-8,10H,11H2,(H4,18,19,21)
InChIKeyADIHTIMQBXNETO-UHFFFAOYSA-N
XLogP1.74
TPSA109.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.74
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-[[4-(2,1,3-benzothiadiazol-5-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168591455
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875
3-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 28561914
2-[[3-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590728
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
3-[[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]methyl]benzonitrile
CID 43185656
3-[(3,5-difluorophenoxy)methyl]benzonitrile
CID 62784850
2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide
CID 76873988
3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile
CID 79800273
3-[[4-(1-aminopropyl)phenoxy]methyl]benzonitrile
CID 60878628
3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
CID 17395288
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]benzonitrile
CID 60802181

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine (CID 168590711) is 2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine is N#Cc1cccc(COc2ccc(C=NN=C(N)N)cc2)c1.
What is the InChIKey of 2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine?
The InChIKey is ADIHTIMQBXNETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-9-13-2-1-3-14(8-13)11-22-15-6-4-12(5-7-15)10-20-21-16(18)19/h1-8,10H,11H2,(H4,18,19,21).
What are the key properties of 2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine?
2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine has a molecular weight of 293.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).