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

C14H20FNO2 — CID 79389969

IUPAC1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
SMILESCN(CC(=O)Cc1ccc(F)cc1)CC(C)(C)O
InChIInChI=1S/C14H20FNO2/c1-14(2,18)10-16(3)9-13(17)8-11-4-6-12(15)7-5-11/h4-7,18H,8-10H2,1-3H3
InChIKeyLWTASIAZAJBTPU-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.64
Rot. Bonds6

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

1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one (PubChem CID 79389969) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
PubChem CID79389969
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
SMILESCN(CC(=O)Cc1ccc(F)cc1)CC(C)(C)O
InChIInChI=1S/C14H20FNO2/c1-14(2,18)10-16(3)9-13(17)8-11-4-6-12(15)7-5-11/h4-7,18H,8-10H2,1-3H3
InChIKeyLWTASIAZAJBTPU-UHFFFAOYSA-N
XLogP1.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one
CID 62052606
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-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one
CID 114243242
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one
CID 105415832
N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110669323
1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one
CID 79390253
2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide
CID 62034961
1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one
CID 60650439
3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 97223641
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387236

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one (CID 79389969) is 1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one is CN(CC(=O)Cc1ccc(F)cc1)CC(C)(C)O.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one?
The InChIKey is LWTASIAZAJBTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-14(2,18)10-16(3)9-13(17)8-11-4-6-12(15)7-5-11/h4-7,18H,8-10H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one?
1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one has a molecular weight of 253.32 g/mol, XLogP of 1.64, 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-hydroxy-2-methylpropyl)-methylamino]propan-2-one is sourced from PubChem (CID 79389969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).