N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine

C15H24FN3O — CID 79051186

IUPACN-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCCNC(c1cncc(F)c1)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H24FN3O/c1-4-18-14(12-9-13(16)11-17-10-12)15(2,3)19-5-7-20-8-6-19/h9-11,14,18H,4-8H2,1-3H3
InChIKeyMCIRIJPRXWRSGO-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.98
Rot. Bonds5

About N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine

N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 79051186) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID79051186
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC NameN-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCCNC(c1cncc(F)c1)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H24FN3O/c1-4-18-14(12-9-13(16)11-17-10-12)15(2,3)19-5-7-20-8-6-19/h9-11,14,18H,4-8H2,1-3H3
InChIKeyMCIRIJPRXWRSGO-UHFFFAOYSA-N
XLogP1.98
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 79051186) is N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine is CCNC(c1cncc(F)c1)C(C)(C)N1CCOCC1.
What is the InChIKey of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is MCIRIJPRXWRSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-4-18-14(12-9-13(16)11-17-10-12)15(2,3)19-5-7-20-8-6-19/h9-11,14,18H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine?
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-3-pyridinyl)-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 79051186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).