3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one

C15H22FNO — CID 62643544

IUPAC3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one
SMILESCN(CCC(=O)c1cccc(F)c1)CC(C)(C)C
InChIInChI=1S/C15H22FNO/c1-15(2,3)11-17(4)9-8-14(18)12-6-5-7-13(16)10-12/h5-7,10H,8-9,11H2,1-4H3
InChIKeyXEZNGYFPSNLEEN-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.38
Rot. Bonds5

About 3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one

3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one (PubChem CID 62643544) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one
PubChem CID62643544
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one
SMILESCN(CCC(=O)c1cccc(F)c1)CC(C)(C)C
InChIInChI=1S/C15H22FNO/c1-15(2,3)11-17(4)9-8-14(18)12-6-5-7-13(16)10-12/h5-7,10H,8-9,11H2,1-4H3
InChIKeyXEZNGYFPSNLEEN-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62643371
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
1-(3-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010701
1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one
CID 62619389
3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726289
1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796075
1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one
CID 62618349
3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 53349627
1-(3-fluorophenyl)-3,5,5-trimethylhexan-1-one
CID 114962701
5-(3-fluorophenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 146004499
3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62618352

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one?
The IUPAC name of 3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one (CID 62643544) is 3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one is CN(CCC(=O)c1cccc(F)c1)CC(C)(C)C.
What is the InChIKey of 3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one?
The InChIKey is XEZNGYFPSNLEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-15(2,3)11-17(4)9-8-14(18)12-6-5-7-13(16)10-12/h5-7,10H,8-9,11H2,1-4H3.
What are the key properties of 3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one?
3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one has a molecular weight of 251.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 62643544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).