6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine

C13H18FNO — CID 114872236

IUPAC6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine
SMILESCCC1CNC(C)C(c2cccc(F)c2)O1
InChIInChI=1S/C13H18FNO/c1-3-12-8-15-9(2)13(16-12)10-5-4-6-11(14)7-10/h4-7,9,12-13,15H,3,8H2,1-2H3
InChIKeyPCRMIBMAUYWSTH-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.65
Rot. Bonds2

About 6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine

6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine (PubChem CID 114872236) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine.

Molecular Properties

Compound Name6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine
PubChem CID114872236
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine
SMILESCCC1CNC(C)C(c2cccc(F)c2)O1
InChIInChI=1S/C13H18FNO/c1-3-12-8-15-9(2)13(16-12)10-5-4-6-11(14)7-10/h4-7,9,12-13,15H,3,8H2,1-2H3
InChIKeyPCRMIBMAUYWSTH-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-3,6-dimethylmorpholine
CID 114872193
2-(3-fluorophenyl)-3-methyl-6-propan-2-ylmorpholine
CID 114872237
2-(3-fluorophenyl)-3,6-dimethyl-1,4-oxazepane
CID 114872204
7-(3-fluorophenyl)-8-methyl-6-oxa-9-azaspiro[4.5]decane
CID 114872207
2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol
CID 123741782
3-ethyl-2-(3-fluorophenyl)pyrrolidine
CID 3903134
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
(4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine
CID 66684519
2-(3-fluorophenyl)-3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 114872220
4-(3-fluorophenyl)-3-(2-methylpropyl)piperidine
CID 79321584
3-(3-fluorophenyl)azetidine;heptane;hydrochloride
CID 175294675
2-(3-fluorophenyl)-3-methylpyrrolidine
CID 3582862

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine?
The IUPAC name of 6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine (CID 114872236) is 6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine.
What is the SMILES notation for 6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine?
The canonical SMILES for 6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine is CCC1CNC(C)C(c2cccc(F)c2)O1.
What is the InChIKey of 6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine?
The InChIKey is PCRMIBMAUYWSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-12-8-15-9(2)13(16-12)10-5-4-6-11(14)7-10/h4-7,9,12-13,15H,3,8H2,1-2H3.
What are the key properties of 6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine?
6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine has a molecular weight of 223.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine is sourced from PubChem (CID 114872236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).