2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine

C19H18N2O — CID 727018

IUPAC2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCCOc1ccc(C2Nc3cccc4cccc(c34)N2)cc1
InChIInChI=1S/C19H18N2O/c1-2-22-15-11-9-14(10-12-15)19-20-16-7-3-5-13-6-4-8-17(21-19)18(13)16/h3-12,19-21H,2H2,1H3
InChIKeyAFPYSPGLOVBMRR-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.77
Rot. Bonds3

About 2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine

2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine (PubChem CID 727018) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine
PubChem CID727018
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCCOc1ccc(C2Nc3cccc4cccc(c34)N2)cc1
InChIInChI=1S/C19H18N2O/c1-2-22-15-11-9-14(10-12-15)19-20-16-7-3-5-13-6-4-8-17(21-19)18(13)16/h3-12,19-21H,2H2,1H3
InChIKeyAFPYSPGLOVBMRR-UHFFFAOYSA-N
XLogP4.77
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine (CID 727018) is 2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine is CCOc1ccc(C2Nc3cccc4cccc(c34)N2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine?
The InChIKey is AFPYSPGLOVBMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-2-22-15-11-9-14(10-12-15)19-20-16-7-3-5-13-6-4-8-17(21-19)18(13)16/h3-12,19-21H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine?
2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine has a molecular weight of 290.37 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 727018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).