2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline

C13H19FN2O — CID 43578065

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline
SMILESCCC1COC(C)CN1c1ccc(F)cc1N
InChIInChI=1S/C13H19FN2O/c1-3-11-8-17-9(2)7-16(11)13-5-4-10(14)6-12(13)15/h4-6,9,11H,3,7-8,15H2,1-2H3
InChIKeyVODJJAAXFYHVPU-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.41
Rot. Bonds2

About 2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline

2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline (PubChem CID 43578065) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline
PubChem CID43578065
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline
SMILESCCC1COC(C)CN1c1ccc(F)cc1N
InChIInChI=1S/C13H19FN2O/c1-3-11-8-17-9(2)7-16(11)13-5-4-10(14)6-12(13)15/h4-6,9,11H,3,7-8,15H2,1-2H3
InChIKeyVODJJAAXFYHVPU-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline
CID 66064888
4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline
CID 43578072
[4-(5-ethyl-2-methylmorpholin-4-yl)-3-methylphenyl]methanamine
CID 60929563
5-(5-ethyl-2-methylmorpholin-4-yl)-3-methylisoquinolin-8-amine
CID 102713093
1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine
CID 63817597
2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline
CID 60986467
[2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanamine
CID 43572805
4-[2-(bromomethyl)-4-methylphenyl]-5-ethyl-2-methylmorpholine
CID 114054613
[2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
CID 43544860
[4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
CID 63078187
2-(5-ethyl-2-methylmorpholin-4-yl)-3-methylaniline
CID 113333692
3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde
CID 81145311

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline (CID 43578065) is 2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline is CCC1COC(C)CN1c1ccc(F)cc1N.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline?
The InChIKey is VODJJAAXFYHVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-11-8-17-9(2)7-16(11)13-5-4-10(14)6-12(13)15/h4-6,9,11H,3,7-8,15H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline?
2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline has a molecular weight of 238.31 g/mol, XLogP of 2.41, 2 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)-5-fluoroaniline is sourced from PubChem (CID 43578065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).