(E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine

C19H18N2O — CID 6898960

IUPAC(E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine
SMILESC(=N/N1CCOCC1)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H18N2O/c1-3-7-17-15(5-1)13-16-6-2-4-8-18(16)19(17)14-20-21-9-11-22-12-10-21/h1-8,13-14H,9-12H2/b20-14+
InChIKeySHLBSYBOFHHNJU-XSFVSMFZSA-N
MW290.37 g/mol
LogP3.66
Rot. Bonds2

About (E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine

(E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine (PubChem CID 6898960) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine
PubChem CID6898960
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine
SMILESC(=N/N1CCOCC1)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H18N2O/c1-3-7-17-15(5-1)13-16-6-2-4-8-18(16)19(17)14-20-21-9-11-22-12-10-21/h1-8,13-14H,9-12H2/b20-14+
InChIKeySHLBSYBOFHHNJU-XSFVSMFZSA-N
XLogP3.66
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine?
The IUPAC name of (E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine (CID 6898960) is (E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine.
What is the SMILES notation for (E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine?
The canonical SMILES for (E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine is C(=N/N1CCOCC1)\c1c2ccccc2cc2ccccc12.
What is the InChIKey of (E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine?
The InChIKey is SHLBSYBOFHHNJU-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H18N2O/c1-3-7-17-15(5-1)13-16-6-2-4-8-18(16)19(17)14-20-21-9-11-22-12-10-21/h1-8,13-14H,9-12H2/b20-14+.
What are the key properties of (E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine?
(E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine has a molecular weight of 290.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 6898960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).