2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol

C14H19FN2O2 — CID 170687990

IUPAC2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol
SMILESCC(C)c1cc(F)c(O)c(/C=N/N2CCOCC2)c1
InChIInChI=1S/C14H19FN2O2/c1-10(2)11-7-12(14(18)13(15)8-11)9-16-17-3-5-19-6-4-17/h7-10,18H,3-6H2,1-2H3/b16-9+
InChIKeyJEBVBHGCBRVOHV-CXUHLZMHSA-N
MW266.32 g/mol
LogP2.32
Rot. Bonds3

About 2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol

2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol (PubChem CID 170687990) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol
PubChem CID170687990
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol
SMILESCC(C)c1cc(F)c(O)c(/C=N/N2CCOCC2)c1
InChIInChI=1S/C14H19FN2O2/c1-10(2)11-7-12(14(18)13(15)8-11)9-16-17-3-5-19-6-4-17/h7-10,18H,3-6H2,1-2H3/b16-9+
InChIKeyJEBVBHGCBRVOHV-CXUHLZMHSA-N
XLogP2.32
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(2-Hydroxy-1-naphthylidene)-4-aminomorpholine
CID 135608186
2,6-Dimethyl-4-[[(4-methyl-1-piperazinyl)imino]methyl]phenol
CID 135519175
4-((1E)-2-morpholin-4-yl-2-azavinyl)phenol
CID 135560806
2-fluoro-4-methyl-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 163230405
2-fluoro-4-methyl-6-[(E)-piperazin-1-yliminomethyl]phenol
CID 163230428
2-fluoro-6-[(E)-piperazin-1-yliminomethyl]-4-propan-2-ylphenol
CID 170687930
tert-butyl 4-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]piperazine-1-carboxylate
CID 170688043
N-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-N-methylacetamide
CID 170688063
3-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]-1,3-oxazolidin-2-one
CID 170688095
2-fluoro-6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-4-propan-2-ylphenol
CID 170688125
2-Fluoro-6-(morpholin-4-yliminomethyl)phenol
CID 175461313
2,6-Dimethyl-4-[(4-morpholinylimino)methyl]phenol
CID 135411418

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol?
The IUPAC name of 2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol (CID 170687990) is 2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol.
What is the SMILES notation for 2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol?
The canonical SMILES for 2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol is CC(C)c1cc(F)c(O)c(/C=N/N2CCOCC2)c1.
What is the InChIKey of 2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol?
The InChIKey is JEBVBHGCBRVOHV-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10(2)11-7-12(14(18)13(15)8-11)9-16-17-3-5-19-6-4-17/h7-10,18H,3-6H2,1-2H3/b16-9+.
What are the key properties of 2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol?
2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol has a molecular weight of 266.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(E)-morpholin-4-yliminomethyl]-4-propan-2-ylphenol is sourced from PubChem (CID 170687990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).