1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one

C12H16FNO — CID 116923852

IUPAC1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one
SMILESCCC(CNC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-3-9(8-14-2)12(15)10-4-6-11(13)7-5-10/h4-7,9,14H,3,8H2,1-2H3
InChIKeyHVLKZCXUALRCRT-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.25
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one

1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one (PubChem CID 116923852) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one
PubChem CID116923852
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one
SMILESCCC(CNC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-3-9(8-14-2)12(15)10-4-6-11(13)7-5-10/h4-7,9,14H,3,8H2,1-2H3
InChIKeyHVLKZCXUALRCRT-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-(methylaminomethyl)butan-1-one
CID 116923854
[(2S)-1-(4-fluorophenyl)-1-oxobutan-2-yl]azanium
CID 6940475
2-chloro-1-(4-fluorophenyl)butan-1-one
CID 15459067
(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476
1-(4-fluorophenyl)-2-nitrobutan-1-one
CID 11665643
2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one
CID 116923949
1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one
CID 116923890
2-ethyl-1-(4-methylsulfanylphenyl)butan-1-one
CID 82165003
2-ethyl-1-(4-iodophenyl)butan-1-one
CID 43160317
N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188798
1,9-bis(4-fluorophenyl)-2,8-bis(methylamino)nonane-1,9-dione
CID 68636214
ethyl 2-(methylaminomethyl)butanoate
CID 23272258

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one (CID 116923852) is 1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one is CCC(CNC)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one?
The InChIKey is HVLKZCXUALRCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-9(8-14-2)12(15)10-4-6-11(13)7-5-10/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one?
1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one has a molecular weight of 209.26 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one is sourced from PubChem (CID 116923852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).