4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline

C13H19FN2O — CID 43578072

IUPAC4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline
SMILESCCC1COC(C)CN1c1ccc(N)cc1F
InChIInChI=1S/C13H19FN2O/c1-3-11-8-17-9(2)7-16(11)13-5-4-10(15)6-12(13)14/h4-6,9,11H,3,7-8,15H2,1-2H3
InChIKeyVKAUQLUOXBEEPP-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.41
Rot. Bonds2

About 4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline

4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline (PubChem CID 43578072) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline
PubChem CID43578072
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline
SMILESCCC1COC(C)CN1c1ccc(N)cc1F
InChIInChI=1S/C13H19FN2O/c1-3-11-8-17-9(2)7-16(11)13-5-4-10(15)6-12(13)14/h4-6,9,11H,3,7-8,15H2,1-2H3
InChIKeyVKAUQLUOXBEEPP-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-fluoroaniline
CID 43578065
1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine
CID 63817597
2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline
CID 66064888
[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
[4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
CID 63078187
2-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanamine
CID 55236575
2-[3-(5-ethyl-2-methylmorpholin-4-yl)-5-fluorophenyl]ethanamine
CID 106532708
3-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)benzonitrile
CID 82797068
2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 63231244
[2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanamine
CID 43572805
4-[2-(bromomethyl)-4-methylphenyl]-5-ethyl-2-methylmorpholine
CID 114054613

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline?
The IUPAC name of 4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline (CID 43578072) is 4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline.
What is the SMILES notation for 4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline?
The canonical SMILES for 4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline is CCC1COC(C)CN1c1ccc(N)cc1F.
What is the InChIKey of 4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline?
The InChIKey is VKAUQLUOXBEEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-11-8-17-9(2)7-16(11)13-5-4-10(15)6-12(13)14/h4-6,9,11H,3,7-8,15H2,1-2H3.
What are the key properties of 4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline?
4-(5-ethyl-2-methylmorpholin-4-yl)-3-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 4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline is sourced from PubChem (CID 43578072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).