4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile

C15H20FN3O — CID 79674360

IUPAC4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile
SMILESCCNC(C)c1cc(F)ccc1N1CCOC(C#N)C1
InChIInChI=1S/C15H20FN3O/c1-3-18-11(2)14-8-12(16)4-5-15(14)19-6-7-20-13(9-17)10-19/h4-5,8,11,13,18H,3,6-7,10H2,1-2H3
InChIKeyIHQXVYBYWZHCSC-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.22
Rot. Bonds4

About 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile

4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile (PubChem CID 79674360) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile
PubChem CID79674360
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile
SMILESCCNC(C)c1cc(F)ccc1N1CCOC(C#N)C1
InChIInChI=1S/C15H20FN3O/c1-3-18-11(2)14-8-12(16)4-5-15(14)19-6-7-20-13(9-17)10-19/h4-5,8,11,13,18H,3,6-7,10H2,1-2H3
InChIKeyIHQXVYBYWZHCSC-UHFFFAOYSA-N
XLogP2.22
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile (CID 79674360) is 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile is CCNC(C)c1cc(F)ccc1N1CCOC(C#N)C1.
What is the InChIKey of 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile?
The InChIKey is IHQXVYBYWZHCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-18-11(2)14-8-12(16)4-5-15(14)19-6-7-20-13(9-17)10-19/h4-5,8,11,13,18H,3,6-7,10H2,1-2H3.
What are the key properties of 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile?
4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile has a molecular weight of 277.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79674360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).