2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol

C13H18FNO2 — CID 103947549

IUPAC2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
SMILESCC1(C)CN(Cc2cc(F)ccc2O)CCO1
InChIInChI=1S/C13H18FNO2/c1-13(2)9-15(5-6-17-13)8-10-7-11(14)3-4-12(10)16/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyYOJDAFJXSCOIBS-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.14
Rot. Bonds2

About 2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol

2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol (PubChem CID 103947549) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
PubChem CID103947549
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
SMILESCC1(C)CN(Cc2cc(F)ccc2O)CCO1
InChIInChI=1S/C13H18FNO2/c1-13(2)9-15(5-6-17-13)8-10-7-11(14)3-4-12(10)16/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyYOJDAFJXSCOIBS-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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-[(2,2-dimethylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82977089
2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994241
2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976790
4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol
CID 103947504
4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976791
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine
CID 77097951
4-fluoro-2-[[4-[(5-fluoro-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenol
CID 102417416
4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
CID 71535785
[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]boronic acid
CID 54970678
2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 113356760
2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine
CID 55649204
4-fluoro-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]aniline
CID 55216753

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol?
The IUPAC name of 2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol (CID 103947549) is 2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol?
The canonical SMILES for 2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol is CC1(C)CN(Cc2cc(F)ccc2O)CCO1.
What is the InChIKey of 2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol?
The InChIKey is YOJDAFJXSCOIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(2)9-15(5-6-17-13)8-10-7-11(14)3-4-12(10)16/h3-4,7,16H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol?
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol has a molecular weight of 239.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol is sourced from PubChem (CID 103947549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).