2-(3,4-dimethoxyphenyl)-1H-perimidine

C19H16N2O2 — CID 3047485

IUPAC2-(3,4-dimethoxyphenyl)-1H-perimidine
SMILESCOc1ccc(C2=Nc3cccc4cccc(c34)N2)cc1OC
InChIInChI=1S/C19H16N2O2/c1-22-16-10-9-13(11-17(16)23-2)19-20-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11H,1-2H3,(H,20,21)
InChIKeyYYDAUEXKAFVRJS-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.36
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-1H-perimidine

2-(3,4-dimethoxyphenyl)-1H-perimidine (PubChem CID 3047485) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1H-perimidine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1H-perimidine
PubChem CID3047485
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-(3,4-dimethoxyphenyl)-1H-perimidine
SMILESCOc1ccc(C2=Nc3cccc4cccc(c34)N2)cc1OC
InChIInChI=1S/C19H16N2O2/c1-22-16-10-9-13(11-17(16)23-2)19-20-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11H,1-2H3,(H,20,21)
InChIKeyYYDAUEXKAFVRJS-UHFFFAOYSA-N
XLogP4.36
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1H-perimidine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1H-perimidine (CID 3047485) is 2-(3,4-dimethoxyphenyl)-1H-perimidine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1H-perimidine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1H-perimidine is COc1ccc(C2=Nc3cccc4cccc(c34)N2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1H-perimidine?
The InChIKey is YYDAUEXKAFVRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-22-16-10-9-13(11-17(16)23-2)19-20-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11H,1-2H3,(H,20,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-1H-perimidine?
2-(3,4-dimethoxyphenyl)-1H-perimidine has a molecular weight of 304.35 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1H-perimidine is sourced from PubChem (CID 3047485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).