1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone

C17H25FN2O3 — CID 97333618

IUPAC1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone
SMILESCOc1ccc(F)cc1[C@H](C)NCC(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H25FN2O3/c1-11-9-20(10-12(2)23-11)17(21)8-19-13(3)15-7-14(18)5-6-16(15)22-4/h5-7,11-13,19H,8-10H2,1-4H3/t11-,12-,13-/m0/s1
InChIKeyVKWZXLRBBOVCMH-AVGNSLFASA-N
MW324.40 g/mol
LogP2.12
Rot. Bonds5

About 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone (PubChem CID 97333618) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone.

Molecular Properties

Compound Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone
PubChem CID97333618
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone
SMILESCOc1ccc(F)cc1[C@H](C)NCC(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H25FN2O3/c1-11-9-20(10-12(2)23-11)17(21)8-19-13(3)15-7-14(18)5-6-16(15)22-4/h5-7,11-13,19H,8-10H2,1-4H3/t11-,12-,13-/m0/s1
InChIKeyVKWZXLRBBOVCMH-AVGNSLFASA-N
XLogP2.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone with MolForge

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Related Compounds

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone
CID 98875951
2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 97333586
N-[(3,5-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103776734
2-[[(1S)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 97334210
2-(3,4-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3373584
2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227111
(2R)-2-(2,4-difluorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 39891493
5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid
CID 63316923
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7211081
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 16503173

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone?
The IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone (CID 97333618) is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone.
What is the SMILES notation for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone?
The canonical SMILES for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone is COc1ccc(F)cc1[C@H](C)NCC(=O)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone?
The InChIKey is VKWZXLRBBOVCMH-AVGNSLFASA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-11-9-20(10-12(2)23-11)17(21)8-19-13(3)15-7-14(18)5-6-16(15)22-4/h5-7,11-13,19H,8-10H2,1-4H3/t11-,12-,13-/m0/s1.
What are the key properties of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone?
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone has a molecular weight of 324.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone is sourced from PubChem (CID 97333618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).