1-(2,5-diethoxyphenyl)pyrrolidin-2-imine

C14H20N2O2 — CID 43121925

IUPAC1-(2,5-diethoxyphenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1cc(OCC)ccc1OCC
InChIInChI=1S/C14H20N2O2/c1-3-17-11-7-8-13(18-4-2)12(10-11)16-9-5-6-14(16)15/h7-8,10,15H,3-6,9H2,1-2H3/b15-14+
InChIKeyIMKMGIAIFXLBEX-CCEZHUSRSA-N
MW248.33 g/mol
LogP3.06
Rot. Bonds5

About 1-(2,5-diethoxyphenyl)pyrrolidin-2-imine

1-(2,5-diethoxyphenyl)pyrrolidin-2-imine (PubChem CID 43121925) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)pyrrolidin-2-imine
PubChem CID43121925
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2,5-diethoxyphenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1cc(OCC)ccc1OCC
InChIInChI=1S/C14H20N2O2/c1-3-17-11-7-8-13(18-4-2)12(10-11)16-9-5-6-14(16)15/h7-8,10,15H,3-6,9H2,1-2H3/b15-14+
InChIKeyIMKMGIAIFXLBEX-CCEZHUSRSA-N
XLogP3.06
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)pyrrolidin-2-imine?
The IUPAC name of 1-(2,5-diethoxyphenyl)pyrrolidin-2-imine (CID 43121925) is 1-(2,5-diethoxyphenyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2,5-diethoxyphenyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1c1cc(OCC)ccc1OCC.
What is the InChIKey of 1-(2,5-diethoxyphenyl)pyrrolidin-2-imine?
The InChIKey is IMKMGIAIFXLBEX-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-17-11-7-8-13(18-4-2)12(10-11)16-9-5-6-14(16)15/h7-8,10,15H,3-6,9H2,1-2H3/b15-14+.
What are the key properties of 1-(2,5-diethoxyphenyl)pyrrolidin-2-imine?
1-(2,5-diethoxyphenyl)pyrrolidin-2-imine has a molecular weight of 248.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)pyrrolidin-2-imine is sourced from PubChem (CID 43121925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).