4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol

C13H18FNO2 — CID 82977201

IUPAC4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol
SMILESCC1CN(C(C)c2cc(F)ccc2O)CCO1
InChIInChI=1S/C13H18FNO2/c1-9-8-15(5-6-17-9)10(2)12-7-11(14)3-4-13(12)16/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyZEPVINOZIYCWSE-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.31
Rot. Bonds2

About 4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol

4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol (PubChem CID 82977201) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol
PubChem CID82977201
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol
SMILESCC1CN(C(C)c2cc(F)ccc2O)CCO1
InChIInChI=1S/C13H18FNO2/c1-9-8-15(5-6-17-9)10(2)12-7-11(14)3-4-13(12)16/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyZEPVINOZIYCWSE-UHFFFAOYSA-N
XLogP2.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.31
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
4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol
CID 82982569
2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol
CID 82980165
2-[1-(3-ethylpyrrolidin-1-yl)ethyl]-4-fluorophenol
CID 113419566
2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol
CID 104961921
2-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol
CID 82979937
4-[1-(2-methylmorpholin-4-yl)ethyl]phenol
CID 82977780
4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol
CID 103947504
2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol
CID 115314817
[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114394882
3-fluoro-N-methyl-4-[1-(2-methylmorpholin-4-yl)ethyl]aniline;molecular hydrogen;sulfane
CID 178034856
4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol
CID 82974210

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol (CID 82977201) is 4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol is CC1CN(C(C)c2cc(F)ccc2O)CCO1.
What is the InChIKey of 4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol?
The InChIKey is ZEPVINOZIYCWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9-8-15(5-6-17-9)10(2)12-7-11(14)3-4-13(12)16/h3-4,7,9-10,16H,5-6,8H2,1-2H3.
What are the key properties of 4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol?
4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol has a molecular weight of 239.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol is sourced from PubChem (CID 82977201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).