2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol

C13H18N2O2 — CID 135411418

IUPAC2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol
SMILESCc1cc(/C=N/N2CCOCC2)cc(C)c1O
InChIInChI=1S/C13H18N2O2/c1-10-7-12(8-11(2)13(10)16)9-14-15-3-5-17-6-4-15/h7-9,16H,3-6H2,1-2H3/b14-9+
InChIKeyIIISMYDMRFFSSY-NTEUORMPSA-N
MW234.30 g/mol
LogP1.68
Rot. Bonds2

About 2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol

2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol (PubChem CID 135411418) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol
PubChem CID135411418
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol
SMILESCc1cc(/C=N/N2CCOCC2)cc(C)c1O
InChIInChI=1S/C13H18N2O2/c1-10-7-12(8-11(2)13(10)16)9-14-15-3-5-17-6-4-15/h7-9,16H,3-6H2,1-2H3/b14-9+
InChIKeyIIISMYDMRFFSSY-NTEUORMPSA-N
XLogP1.68
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol (CID 135411418) is 2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol is Cc1cc(/C=N/N2CCOCC2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol?
The InChIKey is IIISMYDMRFFSSY-NTEUORMPSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-7-12(8-11(2)13(10)16)9-14-15-3-5-17-6-4-15/h7-9,16H,3-6H2,1-2H3/b14-9+.
What are the key properties of 2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol?
2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol has a molecular weight of 234.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-morpholin-4-yliminomethyl]phenol is sourced from PubChem (CID 135411418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).