1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one

C15H21F2NO2 — CID 82951646

IUPAC1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
SMILESCOCCN(C(C)C)C(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H21F2NO2/c1-10(2)18(7-8-20-4)11(3)15(19)13-6-5-12(16)9-14(13)17/h5-6,9-11H,7-8H2,1-4H3
InChIKeyVHMVHAPMFOOVGP-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.89
Rot. Bonds7

About 1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one

1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one (PubChem CID 82951646) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
PubChem CID82951646
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
SMILESCOCCN(C(C)C)C(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H21F2NO2/c1-10(2)18(7-8-20-4)11(3)15(19)13-6-5-12(16)9-14(13)17/h5-6,9-11H,7-8H2,1-4H3
InChIKeyVHMVHAPMFOOVGP-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795408
2-[2-methoxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 82952096
1-(2,4-difluorophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-one
CID 81057731
2-methoxyethyl 2,4-difluorobenzoate
CID 78830751
2-bromo-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951741
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82950859
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986
(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 51063986
N-(3-amino-3-sulfanylidenepropyl)-2,4-difluoro-N-(2-methoxyethyl)benzamide
CID 63287156
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201
1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one (CID 82951646) is 1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one is COCCN(C(C)C)C(C)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one?
The InChIKey is VHMVHAPMFOOVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-10(2)18(7-8-20-4)11(3)15(19)13-6-5-12(16)9-14(13)17/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one?
1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one has a molecular weight of 285.33 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 82951646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).