3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one

C14H20FNO — CID 79062956

IUPAC3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one
SMILESCCC(C)(C(=O)Cc1cccc(F)c1)N(C)C
InChIInChI=1S/C14H20FNO/c1-5-14(2,16(3)4)13(17)10-11-7-6-8-12(15)9-11/h6-9H,5,10H2,1-4H3
InChIKeyNBXIBKSQJAAJEZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.67
Rot. Bonds5

About 3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one

3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one (PubChem CID 79062956) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one
PubChem CID79062956
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one
SMILESCCC(C)(C(=O)Cc1cccc(F)c1)N(C)C
InChIInChI=1S/C14H20FNO/c1-5-14(2,16(3)4)13(17)10-11-7-6-8-12(15)9-11/h6-9H,5,10H2,1-4H3
InChIKeyNBXIBKSQJAAJEZ-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one
CID 79052661
1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one
CID 107884029
1-(2-bromo-4-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one
CID 79063196
1-(3-fluorophenyl)-6,6-dimethylheptane-2,4-dione
CID 58474328
N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide
CID 47023720
1-(4-tert-butylphenyl)-3-(3-fluorophenyl)propan-2-one
CID 63409516
2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 84752374
3-amino-1-(3-chlorophenyl)-3-methylpentan-2-one
CID 116590344
2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide
CID 79810018
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(3-fluorophenyl)acetamide
CID 79668064
2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 78800383
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one?
The IUPAC name of 3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one (CID 79062956) is 3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one.
What is the SMILES notation for 3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one?
The canonical SMILES for 3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one is CCC(C)(C(=O)Cc1cccc(F)c1)N(C)C.
What is the InChIKey of 3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one?
The InChIKey is NBXIBKSQJAAJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-5-14(2,16(3)4)13(17)10-11-7-6-8-12(15)9-11/h6-9H,5,10H2,1-4H3.
What are the key properties of 3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one?
3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one has a molecular weight of 237.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(3-fluorophenyl)-3-methylpentan-2-one is sourced from PubChem (CID 79062956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).