1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine

C21H22N2O — CID 166769350

IUPAC1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine
SMILESC(=N/CCN1CCOCC1)\c1cccc2cc3ccccc3cc12
InChIInChI=1S/C21H22N2O/c1-2-5-18-15-21-19(14-17(18)4-1)6-3-7-20(21)16-22-8-9-23-10-12-24-13-11-23/h1-7,14-16H,8-13H2/b22-16+
InChIKeyLJNWXLZCXBVVOH-CJLVFECKSA-N
MW318.42 g/mol
LogP3.74
Rot. Bonds4

About 1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine

1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine (PubChem CID 166769350) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine.

Molecular Properties

Compound Name1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine
PubChem CID166769350
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine
SMILESC(=N/CCN1CCOCC1)\c1cccc2cc3ccccc3cc12
InChIInChI=1S/C21H22N2O/c1-2-5-18-15-21-19(14-17(18)4-1)6-3-7-20(21)16-22-8-9-23-10-12-24-13-11-23/h1-7,14-16H,8-13H2/b22-16+
InChIKeyLJNWXLZCXBVVOH-CJLVFECKSA-N
XLogP3.74
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.74
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'}

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Related Compounds

manganese(3+);bis(2-(2-morpholin-4-ylethyliminomethyl)phenolate);isothiocyanate;dihydrate
CID 139178755
2-methoxy-6-(2-morpholin-4-ylethyliminomethyl)phenol
CID 4072556
N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine
CID 25268897
bis(2-[2-(aziridin-1-yl)ethyliminomethyl]phenol);cobalt(2+)
CID 3937622
3-(2-morpholin-4-ylethyliminomethyl)-4-nitrophenol
CID 25269594
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
10-(anthracen-9-ylmethyl)-1,4,7-trioxa-10-azacyclododecane
CID 101025185
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
2-[2-[[2-hydroxy-5-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-ylmethyl)phenyl]methylideneamino]ethyliminomethyl]-4-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-ylmethyl)phenol
CID 136898282
(E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine
CID 6898960
2-(2-piperazin-4-ium-1-ylethyliminomethyl)phenolate
CID 152752867
4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine?
The IUPAC name of 1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine (CID 166769350) is 1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine.
What is the SMILES notation for 1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine?
The canonical SMILES for 1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine is C(=N/CCN1CCOCC1)\c1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine?
The InChIKey is LJNWXLZCXBVVOH-CJLVFECKSA-N. The full InChI is InChI=1S/C21H22N2O/c1-2-5-18-15-21-19(14-17(18)4-1)6-3-7-20(21)16-22-8-9-23-10-12-24-13-11-23/h1-7,14-16H,8-13H2/b22-16+.
What are the key properties of 1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine?
1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine has a molecular weight of 318.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine is sourced from PubChem (CID 166769350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).