(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine

C19H19ClN2O — CID 6142475

IUPAC(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine
SMILESClc1ccccc1/C=C/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19ClN2O/c20-19-6-2-1-4-16(19)5-3-11-21-17-7-9-18(10-8-17)22-12-14-23-15-13-22/h1-11H,12-15H2/b5-3+,21-11+
InChIKeyOBNAGZNJVICFBJ-XNPADOQNSA-N
MW326.83 g/mol
LogP4.59
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine

(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine (PubChem CID 6142475) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine
PubChem CID6142475
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine
SMILESClc1ccccc1/C=C/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19ClN2O/c20-19-6-2-1-4-16(19)5-3-11-21-17-7-9-18(10-8-17)22-12-14-23-15-13-22/h1-11H,12-15H2/b5-3+,21-11+
InChIKeyOBNAGZNJVICFBJ-XNPADOQNSA-N
XLogP4.59
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine (CID 6142475) is (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine is Clc1ccccc1/C=C/C=N/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine?
The InChIKey is OBNAGZNJVICFBJ-XNPADOQNSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-19-6-2-1-4-16(19)5-3-11-21-17-7-9-18(10-8-17)22-12-14-23-15-13-22/h1-11H,12-15H2/b5-3+,21-11+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine?
(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine has a molecular weight of 326.83 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine is sourced from PubChem (CID 6142475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).