2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine

C14H15N5O — CID 168591305

IUPAC2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C14H15N5O/c15-11-4-6-12(7-5-11)20-13-3-1-2-10(8-13)9-18-19-14(16)17/h1-9H,15H2,(H4,16,17,19)
InChIKeyZQBGTDINLADFHW-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.67
Rot. Bonds4

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

2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine (PubChem CID 168591305) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine
PubChem CID168591305
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C14H15N5O/c15-11-4-6-12(7-5-11)20-13-3-1-2-10(8-13)9-18-19-14(16)17/h1-9H,15H2,(H4,16,17,19)
InChIKeyZQBGTDINLADFHW-UHFFFAOYSA-N
XLogP1.67
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446
2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine
CID 168591514
2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine
CID 168593001
2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine
CID 168592270
4-amino-N'-[(E)-(3-phenoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 134080594
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine
CID 168592206
2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 110338183
ethyl 2-[3-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 71670101
2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine
CID 168591058
2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168592571

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine (CID 168591305) is 2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1cccc(Oc2ccc(N)cc2)c1.
What is the InChIKey of 2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine?
The InChIKey is ZQBGTDINLADFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-11-4-6-12(7-5-11)20-13-3-1-2-10(8-13)9-18-19-14(16)17/h1-9H,15H2,(H4,16,17,19).
What are the key properties of 2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine?
2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine has a molecular weight of 269.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168591305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).