1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol

C14H20FNO2 — CID 43544807

IUPAC1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol
SMILESCC1CN(c2ccc(C(C)O)cc2F)C(C)CO1
InChIInChI=1S/C14H20FNO2/c1-9-8-18-10(2)7-16(9)14-5-4-12(11(3)17)6-13(14)15/h4-6,9-11,17H,7-8H2,1-3H3
InChIKeyKTANGXOMEHLBLD-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.49
Rot. Bonds2

About 1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol

1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol (PubChem CID 43544807) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol
PubChem CID43544807
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol
SMILESCC1CN(c2ccc(C(C)O)cc2F)C(C)CO1
InChIInChI=1S/C14H20FNO2/c1-9-8-18-10(2)7-16(9)14-5-4-12(11(3)17)6-13(14)15/h4-6,9-11,17H,7-8H2,1-3H3
InChIKeyKTANGXOMEHLBLD-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
The IUPAC name of 1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol (CID 43544807) is 1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol is CC1CN(c2ccc(C(C)O)cc2F)C(C)CO1.
What is the InChIKey of 1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
The InChIKey is KTANGXOMEHLBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-8-18-10(2)7-16(9)14-5-4-12(11(3)17)6-13(14)15/h4-6,9-11,17H,7-8H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 43544807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).