2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol

C14H20FNO2 — CID 112616028

IUPAC2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol
SMILESCCC1COC(C)CN1Cc1cccc(F)c1O
InChIInChI=1S/C14H20FNO2/c1-3-12-9-18-10(2)7-16(12)8-11-5-4-6-13(15)14(11)17/h4-6,10,12,17H,3,7-9H2,1-2H3
InChIKeyCPKZDBIBJSLEHA-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.53
Rot. Bonds3

About 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol

2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol (PubChem CID 112616028) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol
PubChem CID112616028
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol
SMILESCCC1COC(C)CN1Cc1cccc(F)c1O
InChIInChI=1S/C14H20FNO2/c1-3-12-9-18-10(2)7-16(12)8-11-5-4-6-13(15)14(11)17/h4-6,10,12,17H,3,7-9H2,1-2H3
InChIKeyCPKZDBIBJSLEHA-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.53
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

1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
CID 61424395
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 55075141
methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
CID 82969020
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82974433
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
CID 62893281
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 107907776
methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
CID 104824362
3-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]prop-2-enoic acid
CID 76909172
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 112631185
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 43575811
N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline
CID 55089409
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107879237

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol?
The IUPAC name of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol (CID 112616028) is 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol.
What is the SMILES notation for 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol?
The canonical SMILES for 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol is CCC1COC(C)CN1Cc1cccc(F)c1O.
What is the InChIKey of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol?
The InChIKey is CPKZDBIBJSLEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-12-9-18-10(2)7-16(12)8-11-5-4-6-13(15)14(11)17/h4-6,10,12,17H,3,7-9H2,1-2H3.
What are the key properties of 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol?
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol has a molecular weight of 253.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol is sourced from PubChem (CID 112616028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).