4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol

C13H17FN2O2 — CID 135912310

IUPAC4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol
SMILESOc1ccc(F)cc1/C=N/CCN1CCOCC1
InChIInChI=1S/C13H17FN2O2/c14-12-1-2-13(17)11(9-12)10-15-3-4-16-5-7-18-8-6-16/h1-2,9-10,17H,3-8H2/b15-10+
InChIKeyCFGQLGWPETVIDK-XNTDXEJSSA-N
MW252.29 g/mol
LogP1.28
Rot. Bonds4

About 4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol

4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol (PubChem CID 135912310) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol
PubChem CID135912310
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol
SMILESOc1ccc(F)cc1/C=N/CCN1CCOCC1
InChIInChI=1S/C13H17FN2O2/c14-12-1-2-13(17)11(9-12)10-15-3-4-16-5-7-18-8-6-16/h1-2,9-10,17H,3-8H2/b15-10+
InChIKeyCFGQLGWPETVIDK-XNTDXEJSSA-N
XLogP1.28
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol?
The IUPAC name of 4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol (CID 135912310) is 4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol.
What is the SMILES notation for 4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol?
The canonical SMILES for 4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol is Oc1ccc(F)cc1/C=N/CCN1CCOCC1.
What is the InChIKey of 4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol?
The InChIKey is CFGQLGWPETVIDK-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-12-1-2-13(17)11(9-12)10-15-3-4-16-5-7-18-8-6-16/h1-2,9-10,17H,3-8H2/b15-10+.
What are the key properties of 4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol?
4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol has a molecular weight of 252.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol is sourced from PubChem (CID 135912310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).