2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine

C20H20N2O2 — CID 761627

IUPAC2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCCOc1ccc(C2Nc3cccc4cccc(c34)N2)cc1OC
InChIInChI=1S/C20H20N2O2/c1-3-24-17-11-10-14(12-18(17)23-2)20-21-15-8-4-6-13-7-5-9-16(22-20)19(13)15/h4-12,20-22H,3H2,1-2H3
InChIKeyNRYLOLDDNJKGCK-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.78
Rot. Bonds4

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

2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine (PubChem CID 761627) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine
PubChem CID761627
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCCOc1ccc(C2Nc3cccc4cccc(c34)N2)cc1OC
InChIInChI=1S/C20H20N2O2/c1-3-24-17-11-10-14(12-18(17)23-2)20-21-15-8-4-6-13-7-5-9-16(22-20)19(13)15/h4-12,20-22H,3H2,1-2H3
InChIKeyNRYLOLDDNJKGCK-UHFFFAOYSA-N
XLogP4.78
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.78
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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Related Compounds

4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol
CID 760604
2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 727037
2-(4-propoxyphenyl)-2,3-dihydro-1H-perimidine
CID 1742045
2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol
CID 854279
4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol
CID 760603
2-(4-Methoxyphenyl)-2,3-dihydro-1h-perimidine
CID 256655
4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol
CID 761631
2-(3-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 256656
2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
CID 761632
2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine
CID 668463
1-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2,3-dimethylphenyl)thiourea
CID 2508573
6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2812737

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine (CID 761627) is 2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine is CCOc1ccc(C2Nc3cccc4cccc(c34)N2)cc1OC.
What is the InChIKey of 2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine?
The InChIKey is NRYLOLDDNJKGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-24-17-11-10-14(12-18(17)23-2)20-21-15-8-4-6-13-7-5-9-16(22-20)19(13)15/h4-12,20-22H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine?
2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine has a molecular weight of 320.39 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 761627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).