2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol

C14H20FNO2 — CID 104961921

IUPAC2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol
SMILESCC(c1ccc(F)cc1O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H20FNO2/c1-9-7-16(8-10(2)18-9)11(3)13-5-4-12(15)6-14(13)17/h4-6,9-11,17H,7-8H2,1-3H3/t9-,10+,11?
InChIKeyCFHJSCPPJNHSIJ-ZACCUICWSA-N
MW253.32 g/mol
LogP2.70
Rot. Bonds2

About 2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol

2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol (PubChem CID 104961921) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol
PubChem CID104961921
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol
SMILESCC(c1ccc(F)cc1O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H20FNO2/c1-9-7-16(8-10(2)18-9)11(3)13-5-4-12(15)6-14(13)17/h4-6,9-11,17H,7-8H2,1-3H3/t9-,10+,11?
InChIKeyCFHJSCPPJNHSIJ-ZACCUICWSA-N
XLogP2.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-4-fluorophenol
CID 82974953
2-[1-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-5-fluorophenol
CID 103542218
1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]azetidine-3-carboxylic acid
CID 65072301
5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974867
4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol
CID 82974210
2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol
CID 82980035
4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol
CID 82977201
2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol
CID 82975113
2-[1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-fluorophenol
CID 82976686
5-fluoro-2-[1-(4-methyl-1,4-diazepan-1-yl)ethyl]phenol
CID 82974158
2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol
CID 104961914
5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol
CID 82982794

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol (CID 104961921) is 2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol is CC(c1ccc(F)cc1O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol?
The InChIKey is CFHJSCPPJNHSIJ-ZACCUICWSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-7-16(8-10(2)18-9)11(3)13-5-4-12(15)6-14(13)17/h4-6,9-11,17H,7-8H2,1-3H3/t9-,10+,11?.
What are the key properties of 2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol?
2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol has a molecular weight of 253.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol is sourced from PubChem (CID 104961921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).