1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one

C12H16FNO2 — CID 62052606

IUPAC1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one
SMILESCN(CCO)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-14(6-7-15)9-12(16)8-10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3
InChIKeyMNJLLHHRZZQSTM-UHFFFAOYSA-N
MW225.26 g/mol
LogP0.86
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one

1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one (PubChem CID 62052606) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one
PubChem CID62052606
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one
SMILESCN(CCO)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-14(6-7-15)9-12(16)8-10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3
InChIKeyMNJLLHHRZZQSTM-UHFFFAOYSA-N
XLogP0.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one
CID 114243242
1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one
CID 112661956
1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 81058187
1-(4-fluorophenyl)-3-[methyl(3-methylsulfanylpropyl)amino]propan-2-one
CID 114237478
1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
CID 79389969
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one
CID 105415832
2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide
CID 62034961
1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 43795966
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744
1-(dimethylamino)-3-(4-ethylphenyl)propan-2-one
CID 79077220
3-[[3-(4-fluorophenyl)-2-oxopropyl]-propan-2-ylamino]propanenitrile
CID 62035070

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one (CID 62052606) is 1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one is CN(CCO)CC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one?
The InChIKey is MNJLLHHRZZQSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-14(6-7-15)9-12(16)8-10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one?
1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one has a molecular weight of 225.26 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one is sourced from PubChem (CID 62052606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).