5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one

C13H17F2NO — CID 115236590

IUPAC5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one
SMILESCC(=O)CCCN(C)Cc1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO/c1-10(17)4-3-7-16(2)9-11-8-12(14)5-6-13(11)15/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyABZHWYCNPJDUMX-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.77
Rot. Bonds6

About 5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one

5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one (PubChem CID 115236590) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one
PubChem CID115236590
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one
SMILESCC(=O)CCCN(C)Cc1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO/c1-10(17)4-3-7-16(2)9-11-8-12(14)5-6-13(11)15/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyABZHWYCNPJDUMX-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803
4-[(2-fluoro-5-methylphenyl)methyl-methylamino]butanoic acid
CID 106835028
1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203931
methyl 4-[(5-fluoro-2-methylphenyl)methyl-methylamino]butanoate
CID 105374749
5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
CID 115236560
4-[(4-fluoro-2-methylphenyl)methyl-methylamino]butanoic acid
CID 65067973
5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one
CID 115236677
5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236571
2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-fluorophenol
CID 107701908
5-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]pentan-2-one
CID 115236597
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
3-[(2-chloro-5-fluorophenyl)methyl-methylamino]propanoic acid
CID 102616813

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one?
The IUPAC name of 5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one (CID 115236590) is 5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one.
What is the SMILES notation for 5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one?
The canonical SMILES for 5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one is CC(=O)CCCN(C)Cc1cc(F)ccc1F.
What is the InChIKey of 5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one?
The InChIKey is ABZHWYCNPJDUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-10(17)4-3-7-16(2)9-11-8-12(14)5-6-13(11)15/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of 5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one?
5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one has a molecular weight of 241.28 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one is sourced from PubChem (CID 115236590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).