1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one

C15H20FNO2 — CID 82744240

IUPAC1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one
SMILESCc1ccc(C(=O)CCN(C)C2CCOC2)cc1F
InChIInChI=1S/C15H20FNO2/c1-11-3-4-12(9-14(11)16)15(18)5-7-17(2)13-6-8-19-10-13/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyUOUNUKJMIHMSSC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.43
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one

1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one (PubChem CID 82744240) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one
PubChem CID82744240
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one
SMILESCc1ccc(C(=O)CCN(C)C2CCOC2)cc1F
InChIInChI=1S/C15H20FNO2/c1-11-3-4-12(9-14(11)16)15(18)5-7-17(2)13-6-8-19-10-13/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyUOUNUKJMIHMSSC-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one
CID 82744004
(3-fluoro-4-methylphenyl)-(oxan-3-yl)methanone
CID 107128324
(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanone
CID 63935252
3-fluoro-4-[methyl(oxolan-3-yl)amino]benzoic acid
CID 82739555
1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one
CID 82136057
4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947766
hydrazinyl 3-[methyl(oxolan-3-yl)amino]propanoate
CID 82754758
1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713632
2-[methyl(oxolan-3-yl)amino]-1-(4-nitrophenyl)ethanone
CID 82742955
N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide
CID 90607041
1-(3-fluoro-4-methylphenyl)decan-1-one
CID 55186019
1-(3-fluoro-4-methylphenyl)pent-4-yn-1-one
CID 63656892

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one (CID 82744240) is 1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one is Cc1ccc(C(=O)CCN(C)C2CCOC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one?
The InChIKey is UOUNUKJMIHMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-3-4-12(9-14(11)16)15(18)5-7-17(2)13-6-8-19-10-13/h3-4,9,13H,5-8,10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one?
1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one has a molecular weight of 265.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one is sourced from PubChem (CID 82744240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).