1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine

C19H20N2O3 — CID 1276317

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESC(=N/c1ccc(N2CCOCC2)cc1)\c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20N2O3/c1-6-18-19(24-12-11-23-18)13-15(1)14-20-16-2-4-17(5-3-16)21-7-9-22-10-8-21/h1-6,13-14H,7-12H2/b20-14+
InChIKeyDNJCFUUHVFQKLW-XSFVSMFZSA-N
MW324.38 g/mol
LogP3.05
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 1276317) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID1276317
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESC(=N/c1ccc(N2CCOCC2)cc1)\c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20N2O3/c1-6-18-19(24-12-11-23-18)13-15(1)14-20-16-2-4-17(5-3-16)21-7-9-22-10-8-21/h1-6,13-14H,7-12H2/b20-14+
InChIKeyDNJCFUUHVFQKLW-XSFVSMFZSA-N
XLogP3.05
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 126129820
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4665354
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 23738973
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine
CID 71525202
N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854805
1-(3-ethoxy-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 23853870
2-ethoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135812320
1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3296589
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine
CID 126135963
2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 137125019
1-(5-chlorothiophen-2-yl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4269460

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine (CID 1276317) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine is C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is DNJCFUUHVFQKLW-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-6-18-19(24-12-11-23-18)13-15(1)14-20-16-2-4-17(5-3-16)21-7-9-22-10-8-21/h1-6,13-14H,7-12H2/b20-14+.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 324.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 1276317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).