1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one

C16H24FNO — CID 54999548

IUPAC1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one
SMILESCC(C)CC(C)N(C)CC(=O)Cc1ccccc1F
InChIInChI=1S/C16H24FNO/c1-12(2)9-13(3)18(4)11-15(19)10-14-7-5-6-8-16(14)17/h5-8,12-13H,9-11H2,1-4H3
InChIKeyFOZBQMRMFVBOES-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.30
Rot. Bonds7

About 1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one

1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one (PubChem CID 54999548) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one
PubChem CID54999548
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one
SMILESCC(C)CC(C)N(C)CC(=O)Cc1ccccc1F
InChIInChI=1S/C16H24FNO/c1-12(2)9-13(3)18(4)11-15(19)10-14-7-5-6-8-16(14)17/h5-8,12-13H,9-11H2,1-4H3
InChIKeyFOZBQMRMFVBOES-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-2-one
CID 62031287
1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one
CID 43796057
1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55010600
1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55002178
1-(2-fluorophenyl)-6-methylheptane-2,4-dione
CID 58474750
1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 62051935
N-ethyl-2-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]acetamide
CID 62036688
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
1-(2-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-one
CID 62036369
2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide
CID 103103060
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one
CID 82951174
1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 43794948

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one (CID 54999548) is 1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one is CC(C)CC(C)N(C)CC(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one?
The InChIKey is FOZBQMRMFVBOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12(2)9-13(3)18(4)11-15(19)10-14-7-5-6-8-16(14)17/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one?
1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one has a molecular weight of 265.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one is sourced from PubChem (CID 54999548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).