1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one

C14H20FNO — CID 60650439

IUPAC1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one
SMILESCN(CC(=O)C(C)(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-14(2,3)13(17)10-16(4)9-11-5-7-12(15)8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyFKWNYLDOEWHPRS-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.87
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one

1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one (PubChem CID 60650439) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one
PubChem CID60650439
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one
SMILESCN(CC(=O)C(C)(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-14(2,3)13(17)10-16(4)9-11-5-7-12(15)8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyFKWNYLDOEWHPRS-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62029618
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2451655
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
CID 62821658
1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
CID 79389969
6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one (CID 60650439) is 1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one is CN(CC(=O)C(C)(C)C)Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one?
The InChIKey is FKWNYLDOEWHPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2,3)13(17)10-16(4)9-11-5-7-12(15)8-6-11/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one?
1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one has a molecular weight of 237.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 60650439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).