2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide

C15H17N3O2 — CID 86278868

IUPAC2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide
SMILESCOc1cc(N)c(/C(N)=N/c2ccccc2)cc1OC
InChIInChI=1S/C15H17N3O2/c1-19-13-8-11(12(16)9-14(13)20-2)15(17)18-10-6-4-3-5-7-10/h3-9H,16H2,1-2H3,(H2,17,18)
InChIKeyRRIJIDKMEHRWLE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.32
Rot. Bonds4

About 2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide

2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide (PubChem CID 86278868) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide.

Molecular Properties

Compound Name2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide
PubChem CID86278868
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide
SMILESCOc1cc(N)c(/C(N)=N/c2ccccc2)cc1OC
InChIInChI=1S/C15H17N3O2/c1-19-13-8-11(12(16)9-14(13)20-2)15(17)18-10-6-4-3-5-7-10/h3-9H,16H2,1-2H3,(H2,17,18)
InChIKeyRRIJIDKMEHRWLE-UHFFFAOYSA-N
XLogP2.32
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide?
The IUPAC name of 2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide (CID 86278868) is 2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide.
What is the SMILES notation for 2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide?
The canonical SMILES for 2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide is COc1cc(N)c(/C(N)=N/c2ccccc2)cc1OC.
What is the InChIKey of 2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide?
The InChIKey is RRIJIDKMEHRWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-19-13-8-11(12(16)9-14(13)20-2)15(17)18-10-6-4-3-5-7-10/h3-9H,16H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide?
2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide has a molecular weight of 271.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide is sourced from PubChem (CID 86278868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).