[4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone

C15H20F2N2O2 — CID 63185055

IUPAC[4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone
SMILESCCNc1c(F)cc(C(=O)N2CCOCC2CC)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-3-11-9-21-6-5-19(11)15(20)10-7-12(16)14(18-4-2)13(17)8-10/h7-8,11,18H,3-6,9H2,1-2H3
InChIKeyYFLYBQPKFLTYQM-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.65
Rot. Bonds4

About [4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone

[4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone (PubChem CID 63185055) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is [4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone
PubChem CID63185055
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name[4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone
SMILESCCNc1c(F)cc(C(=O)N2CCOCC2CC)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-3-11-9-21-6-5-19(11)15(20)10-7-12(16)14(18-4-2)13(17)8-10/h7-8,11,18H,3-6,9H2,1-2H3
InChIKeyYFLYBQPKFLTYQM-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylmorpholin-4-yl)-(4-fluoro-3-nitrophenyl)methanone
CID 43613168
(3,3-dimethylmorpholin-4-yl)-[4-(ethylamino)-3,5-difluorophenyl]methanone
CID 63186014
[3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 63183625
(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
CID 78966403
[4-(ethylamino)-2-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 55047074
(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
(2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 113379780
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
[3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 63185756
(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 115999932

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of [4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone (CID 63185055) is [4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for [4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone is CCNc1c(F)cc(C(=O)N2CCOCC2CC)cc1F.
What is the InChIKey of [4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is YFLYBQPKFLTYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-3-11-9-21-6-5-19(11)15(20)10-7-12(16)14(18-4-2)13(17)8-10/h7-8,11,18H,3-6,9H2,1-2H3.
What are the key properties of [4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone?
[4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 298.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 63185055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).