[3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone

C15H20F2N2O2 — CID 63185756

IUPAC[3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-4-11-8-21-9(2)7-19(11)15(20)10-5-12(16)14(18-3)13(17)6-10/h5-6,9,11,18H,4,7-8H2,1-3H3
InChIKeyBBKZGLQRROKHNT-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.65
Rot. Bonds3

About [3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone

[3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 63185756) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is [3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID63185756
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name[3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-4-11-8-21-9(2)7-19(11)15(20)10-5-12(16)14(18-3)13(17)6-10/h5-6,9,11,18H,4,7-8H2,1-3H3
InChIKeyBBKZGLQRROKHNT-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

[3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 63185405
(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61093877
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 63187071
(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 55100198
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863
[3,5-difluoro-4-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960474
[3,5-difluoro-4-(methylamino)phenyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603059
(5-ethyl-2-methylmorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105385751
(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103755584
2,3-dihydro-1H-isoindol-5-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103998009
[4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone
CID 63185055

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of [3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 63185756) is [3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCC1COC(C)CN1C(=O)c1cc(F)c(NC)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is BBKZGLQRROKHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-4-11-8-21-9(2)7-19(11)15(20)10-5-12(16)14(18-3)13(17)6-10/h5-6,9,11,18H,4,7-8H2,1-3H3.
What are the key properties of [3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
[3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 298.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 63185756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).