1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one

C13H18FNO — CID 105376531

IUPAC1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one
SMILESCNCCCC(=O)Cc1cc(F)ccc1C
InChIInChI=1S/C13H18FNO/c1-10-5-6-12(14)8-11(10)9-13(16)4-3-7-15-2/h5-6,8,15H,3-4,7,9H2,1-2H3
InChIKeyDFZUXHIGGBOJDM-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.25
Rot. Bonds6

About 1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one

1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one (PubChem CID 105376531) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one
PubChem CID105376531
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one
SMILESCNCCCC(=O)Cc1cc(F)ccc1C
InChIInChI=1S/C13H18FNO/c1-10-5-6-12(14)8-11(10)9-13(16)4-3-7-15-2/h5-6,8,15H,3-4,7,9H2,1-2H3
InChIKeyDFZUXHIGGBOJDM-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
CID 106677668
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376564
1-(4-fluoro-2-methylphenyl)-4-(methylamino)butan-1-one
CID 116555760
1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 105376593
1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 105376529
1-(5-fluoro-2-methylphenyl)heptan-4-one
CID 105375483
1-(4-ethylphenyl)-5-(methylamino)pentan-2-one
CID 116555578
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
1-(5-fluoro-2-methylphenyl)-3-(methylamino)butan-2-one
CID 105376561
1-(5-fluoro-2-methylphenyl)-3-propan-2-ylsulfanylpropan-2-one
CID 105373242
4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376676
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one
CID 105376567

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one (CID 105376531) is 1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one is CNCCCC(=O)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one?
The InChIKey is DFZUXHIGGBOJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-5-6-12(14)8-11(10)9-13(16)4-3-7-15-2/h5-6,8,15H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one?
1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one has a molecular weight of 223.29 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one is sourced from PubChem (CID 105376531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).