1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one

C14H20FNO3 — CID 62029566

IUPAC1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one
SMILESCOCC(O)CN(C)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO3/c1-16(9-13(17)10-19-2)8-7-14(18)11-3-5-12(15)6-4-11/h3-6,13,17H,7-10H2,1-2H3
InChIKeyUJEMGSCATCSVBN-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.34
Rot. Bonds8

About 1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one

1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one (PubChem CID 62029566) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one
PubChem CID62029566
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one
SMILESCOCC(O)CN(C)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO3/c1-16(9-13(17)10-19-2)8-7-14(18)11-3-5-12(15)6-4-11/h3-6,13,17H,7-10H2,1-2H3
InChIKeyUJEMGSCATCSVBN-UHFFFAOYSA-N
XLogP1.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,2-difluoroethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 84597537
1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one
CID 61427319
(2S)-1-[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-methoxypropan-2-ol
CID 100857627
1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
CID 82952009
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
CID 43792985
3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 81058005
4-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetyl]benzonitrile
CID 62030522
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide
CID 62015149
1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
CID 43793380
2-methoxyethyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78830805

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one (CID 62029566) is 1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one is COCC(O)CN(C)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one?
The InChIKey is UJEMGSCATCSVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-16(9-13(17)10-19-2)8-7-14(18)11-3-5-12(15)6-4-11/h3-6,13,17H,7-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one?
1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one has a molecular weight of 269.32 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one is sourced from PubChem (CID 62029566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).