3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one

C14H20FNO — CID 116608359

IUPAC3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one
SMILESCc1ccc(F)cc1C(=O)CC(N)C(C)(C)C
InChIInChI=1S/C14H20FNO/c1-9-5-6-10(15)7-11(9)12(17)8-13(16)14(2,3)4/h5-7,13H,8,16H2,1-4H3
InChIKeyYMQGNCGPBATHKM-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.08
Rot. Bonds3

About 3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one

3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one (PubChem CID 116608359) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one
PubChem CID116608359
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one
SMILESCc1ccc(F)cc1C(=O)CC(N)C(C)(C)C
InChIInChI=1S/C14H20FNO/c1-9-5-6-10(15)7-11(9)12(17)8-13(16)14(2,3)4/h5-7,13H,8,16H2,1-4H3
InChIKeyYMQGNCGPBATHKM-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one
CID 116610017
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one
CID 131035867
2-amino-1-(4-fluoro-2-methylphenyl)-3,3-dimethylbutan-1-one
CID 116611598
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324
2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone
CID 116590821
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 103543669
1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one
CID 83157845
1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone
CID 65477472
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-methylbenzamide
CID 106357210
3-amino-1-(2,3-difluoro-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 107515023
2-(2,6-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 55187917

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one?
The IUPAC name of 3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one (CID 116608359) is 3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one.
What is the SMILES notation for 3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one?
The canonical SMILES for 3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one is Cc1ccc(F)cc1C(=O)CC(N)C(C)(C)C.
What is the InChIKey of 3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one?
The InChIKey is YMQGNCGPBATHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9-5-6-10(15)7-11(9)12(17)8-13(16)14(2,3)4/h5-7,13H,8,16H2,1-4H3.
What are the key properties of 3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one?
3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one has a molecular weight of 237.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one is sourced from PubChem (CID 116608359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).