1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one

C13H18FNO — CID 105376529

IUPAC1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one
SMILESCc1ccc(F)cc1CC(=O)CNC(C)C
InChIInChI=1S/C13H18FNO/c1-9(2)15-8-13(16)7-11-6-12(14)5-4-10(11)3/h4-6,9,15H,7-8H2,1-3H3
InChIKeyANBXAPWEUIFXPW-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.24
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one

1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one (PubChem CID 105376529) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one
PubChem CID105376529
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one
SMILESCc1ccc(F)cc1CC(=O)CNC(C)C
InChIInChI=1S/C13H18FNO/c1-9(2)15-8-13(16)7-11-6-12(14)5-4-10(11)3/h4-6,9,15H,7-8H2,1-3H3
InChIKeyANBXAPWEUIFXPW-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one
CID 105376567
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
1-(2-bromo-5-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
CID 116556409
1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one
CID 105376531
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376564
1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
CID 106677668
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 105376593
N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine
CID 105372265
1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105373192

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one (CID 105376529) is 1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one is Cc1ccc(F)cc1CC(=O)CNC(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one?
The InChIKey is ANBXAPWEUIFXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(2)15-8-13(16)7-11-6-12(14)5-4-10(11)3/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one?
1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one has a molecular weight of 223.29 g/mol, XLogP of 2.24, 5 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)-3-(propan-2-ylamino)propan-2-one is sourced from PubChem (CID 105376529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).