5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol

C15H23N3O2 — CID 135401271

IUPAC5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/N2CCOCC2)c(O)c1
InChIInChI=1S/C15H23N3O2/c1-3-17(4-2)14-6-5-13(15(19)11-14)12-16-18-7-9-20-10-8-18/h5-6,11-12,19H,3-4,7-10H2,1-2H3/b16-12+
InChIKeyONUDNVGCRRDQCZ-FOWTUZBSSA-N
MW277.37 g/mol
LogP1.90
Rot. Bonds5

About 5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol

5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol (PubChem CID 135401271) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol
PubChem CID135401271
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/N2CCOCC2)c(O)c1
InChIInChI=1S/C15H23N3O2/c1-3-17(4-2)14-6-5-13(15(19)11-14)12-16-18-7-9-20-10-8-18/h5-6,11-12,19H,3-4,7-10H2,1-2H3/b16-12+
InChIKeyONUDNVGCRRDQCZ-FOWTUZBSSA-N
XLogP1.90
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol (CID 135401271) is 5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol is CCN(CC)c1ccc(/C=N/N2CCOCC2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol?
The InChIKey is ONUDNVGCRRDQCZ-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-17(4-2)14-6-5-13(15(19)11-14)12-16-18-7-9-20-10-8-18/h5-6,11-12,19H,3-4,7-10H2,1-2H3/b16-12+.
What are the key properties of 5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol?
5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol has a molecular weight of 277.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol is sourced from PubChem (CID 135401271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).