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

C19H18N2O2 — CID 668463

IUPAC2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCOc1cccc(C2Nc3cccc4cccc(c34)N2)c1OC
InChIInChI=1S/C19H18N2O2/c1-22-16-11-5-8-13(18(16)23-2)19-20-14-9-3-6-12-7-4-10-15(21-19)17(12)14/h3-11,19-21H,1-2H3
InChIKeyZXCPEWASUSUSGE-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.39
Rot. Bonds3

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

2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine (PubChem CID 668463) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine
PubChem CID668463
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCOc1cccc(C2Nc3cccc4cccc(c34)N2)c1OC
InChIInChI=1S/C19H18N2O2/c1-22-16-11-5-8-13(18(16)23-2)19-20-14-9-3-6-12-7-4-10-15(21-19)17(12)14/h3-11,19-21H,1-2H3
InChIKeyZXCPEWASUSUSGE-UHFFFAOYSA-N
XLogP4.39
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine (CID 668463) is 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine is COc1cccc(C2Nc3cccc4cccc(c34)N2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine?
The InChIKey is ZXCPEWASUSUSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-22-16-11-5-8-13(18(16)23-2)19-20-14-9-3-6-12-7-4-10-15(21-19)17(12)14/h3-11,19-21H,1-2H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine?
2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine has a molecular weight of 306.37 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 668463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).