(E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine

C19H25N3O — CID 42992288

IUPAC(E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine
SMILESCc1ccc(-n2c(C)cc(/C=N/N3CCOCC3)c2C)cc1C
InChIInChI=1S/C19H25N3O/c1-14-5-6-19(11-15(14)2)22-16(3)12-18(17(22)4)13-20-21-7-9-23-10-8-21/h5-6,11-13H,7-10H2,1-4H3/b20-13+
InChIKeyTVYQDTXMKUWKRZ-DEDYPNTBSA-N
MW311.43 g/mol
LogP3.38
Rot. Bonds3

About (E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine

(E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine (PubChem CID 42992288) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine
PubChem CID42992288
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine
SMILESCc1ccc(-n2c(C)cc(/C=N/N3CCOCC3)c2C)cc1C
InChIInChI=1S/C19H25N3O/c1-14-5-6-19(11-15(14)2)22-16(3)12-18(17(22)4)13-20-21-7-9-23-10-8-21/h5-6,11-13H,7-10H2,1-4H3/b20-13+
InChIKeyTVYQDTXMKUWKRZ-DEDYPNTBSA-N
XLogP3.38
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-piperidin-1-ylmethanimine
CID 6903380
1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione
CID 135469742
1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
CID 2407574
[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]urea
CID 878182
2-[(2E)-2-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135576683
1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine
CID 1276000
N'-[(Z)-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide
CID 94836782
(5Z)-5-[[1-(3-bromo-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(3,4-dimethylphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126133833
4-[(Z)-morpholin-4-yliminomethyl]benzene-1,3-diol
CID 136904662
1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 974661
2,5-dimethyl-1-(4-morpholin-4-yl-3-nitrophenyl)pyrrole-3-carbaldehyde
CID 2893124
4-[[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 5095298

Frequently Asked Questions

What is the IUPAC name of (E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine?
The IUPAC name of (E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine (CID 42992288) is (E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for (E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for (E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine is Cc1ccc(-n2c(C)cc(/C=N/N3CCOCC3)c2C)cc1C.
What is the InChIKey of (E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine?
The InChIKey is TVYQDTXMKUWKRZ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-5-6-19(11-15(14)2)22-16(3)12-18(17(22)4)13-20-21-7-9-23-10-8-21/h5-6,11-13H,7-10H2,1-4H3/b20-13+.
What are the key properties of (E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine?
(E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine has a molecular weight of 311.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 42992288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).