2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone

C17H24F2N2O3 — CID 97333586

IUPAC2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN[C@@H](C)c2ccc(OC(F)F)cc2)C[C@@H](C)O1
InChIInChI=1S/C17H24F2N2O3/c1-11-9-21(10-12(2)23-11)16(22)8-20-13(3)14-4-6-15(7-5-14)24-17(18)19/h4-7,11-13,17,20H,8-10H2,1-3H3/t11-,12-,13+/m1/s1
InChIKeyFMJFKIJJYIAESI-UPJWGTAASA-N
MW342.39 g/mol
LogP2.57
Rot. Bonds6

About 2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone

2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone (PubChem CID 97333586) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
PubChem CID97333586
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN[C@@H](C)c2ccc(OC(F)F)cc2)C[C@@H](C)O1
InChIInChI=1S/C17H24F2N2O3/c1-11-9-21(10-12(2)23-11)16(22)8-20-13(3)14-4-6-15(7-5-14)24-17(18)19/h4-7,11-13,17,20H,8-10H2,1-3H3/t11-,12-,13+/m1/s1
InChIKeyFMJFKIJJYIAESI-UPJWGTAASA-N
XLogP2.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one
CID 102553814
1-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]acetyl]imidazolidin-2-one
CID 99776660
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone
CID 98875951
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone
CID 97333618
2-(cyclopropylmethylamino)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119720123
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
CID 65031608
N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
CID 43103925
[1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopentyl]methanol
CID 115358503
(2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 94387178
4-[1-[4-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 54920730
2-cyclopentyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 134002861

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone (CID 97333586) is 2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone is C[C@@H]1CN(C(=O)CN[C@@H](C)c2ccc(OC(F)F)cc2)C[C@@H](C)O1.
What is the InChIKey of 2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The InChIKey is FMJFKIJJYIAESI-UPJWGTAASA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-11-9-21(10-12(2)23-11)16(22)8-20-13(3)14-4-6-15(7-5-14)24-17(18)19/h4-7,11-13,17,20H,8-10H2,1-3H3/t11-,12-,13+/m1/s1.
What are the key properties of 2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone has a molecular weight of 342.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 97333586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).