2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one

C13H17F2NO — CID 107514837

IUPAC2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one
SMILESCc1ccc(C(=O)C(N)CC(C)C)c(F)c1F
InChIInChI=1S/C13H17F2NO/c1-7(2)6-10(16)13(17)9-5-4-8(3)11(14)12(9)15/h4-5,7,10H,6,16H2,1-3H3
InChIKeyGNHOCFJDSAKOSZ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.83
Rot. Bonds4

About 2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one

2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one (PubChem CID 107514837) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one
PubChem CID107514837
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one
SMILESCc1ccc(C(=O)C(N)CC(C)C)c(F)c1F
InChIInChI=1S/C13H17F2NO/c1-7(2)6-10(16)13(17)9-5-4-8(3)11(14)12(9)15/h4-5,7,10H,6,16H2,1-3H3
InChIKeyGNHOCFJDSAKOSZ-UHFFFAOYSA-N
XLogP2.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,3-difluoro-4-methylphenyl)-3-methylbutan-1-one
CID 107514823
2-amino-1-(2,3-difluoro-4-methylphenyl)-3-methylpentan-1-one
CID 107514834
2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one
CID 82048981
2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one
CID 116553575
(2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one
CID 10104411
1-(2,3-difluoro-4-methylphenyl)-2,2-dimethoxyethanone
CID 107512699
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
3-amino-1-(2,3-difluoro-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 107515023
4-amino-1-(2,3-difluoro-4-methylphenyl)-3-methylbutan-1-one
CID 107514965
2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one
CID 116594142
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 107515193

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one?
The IUPAC name of 2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one (CID 107514837) is 2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one is Cc1ccc(C(=O)C(N)CC(C)C)c(F)c1F.
What is the InChIKey of 2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one?
The InChIKey is GNHOCFJDSAKOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-7(2)6-10(16)13(17)9-5-4-8(3)11(14)12(9)15/h4-5,7,10H,6,16H2,1-3H3.
What are the key properties of 2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one?
2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one has a molecular weight of 241.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one is sourced from PubChem (CID 107514837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).