1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one

C14H20FNO2 — CID 113476348

IUPAC1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one
SMILESCN(CCC(=O)c1ccccc1F)C(C)(C)CO
InChIInChI=1S/C14H20FNO2/c1-14(2,10-17)16(3)9-8-13(18)11-6-4-5-7-12(11)15/h4-7,17H,8-10H2,1-3H3
InChIKeyBZOQWBJKTXXQPE-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.10
Rot. Bonds6

About 1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one

1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one (PubChem CID 113476348) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one
PubChem CID113476348
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one
SMILESCN(CCC(=O)c1ccccc1F)C(C)(C)CO
InChIInChI=1S/C14H20FNO2/c1-14(2,10-17)16(3)9-8-13(18)11-6-4-5-7-12(11)15/h4-7,17H,8-10H2,1-3H3
InChIKeyBZOQWBJKTXXQPE-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one
CID 115113429
3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one
CID 102997005
1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62645290
1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 62619704
3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359
4-amino-1-(2-fluorophenyl)-3,3-dimethylbutan-1-one
CID 116916536
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 55099387
3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618687
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62619022
3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one
CID 82601573
3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 63956709
1-(2,3-difluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 114059454

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one (CID 113476348) is 1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one is CN(CCC(=O)c1ccccc1F)C(C)(C)CO.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one?
The InChIKey is BZOQWBJKTXXQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-14(2,10-17)16(3)9-8-13(18)11-6-4-5-7-12(11)15/h4-7,17H,8-10H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one?
1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one has a molecular weight of 253.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one is sourced from PubChem (CID 113476348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).