5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one

C15H22FNO2 — CID 116910641

IUPAC5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one
SMILESCCOc1ccc(C(CCC(C)=O)N(C)C)cc1F
InChIInChI=1S/C15H22FNO2/c1-5-19-15-9-7-12(10-13(15)16)14(17(3)4)8-6-11(2)18/h7,9-10,14H,5-6,8H2,1-4H3
InChIKeyUDEMOOXRJAKKEF-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.20
Rot. Bonds7

About 5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one

5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one (PubChem CID 116910641) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one.

Molecular Properties

Compound Name5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one
PubChem CID116910641
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one
SMILESCCOc1ccc(C(CCC(C)=O)N(C)C)cc1F
InChIInChI=1S/C15H22FNO2/c1-5-19-15-9-7-12(10-13(15)16)14(17(3)4)8-6-11(2)18/h7,9-10,14H,5-6,8H2,1-4H3
InChIKeyUDEMOOXRJAKKEF-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol
CID 116907790
4-(dimethylamino)-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116910493
2-amino-2-(4-ethoxy-3-fluorophenyl)-N,N-dimethylacetamide
CID 116850116
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396
4-[2-(4-ethoxy-3-fluorophenyl)ethyl-methylamino]butan-2-one
CID 115236051
5-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]pentan-2-one
CID 115236597
ethyl 2-chloro-2-(4-ethoxy-3-fluorophenyl)acetate
CID 116863125
4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide
CID 116847967
5-(3-fluoro-4-methoxyphenyl)-5-(methylamino)pentan-2-one
CID 116956141
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83935225
3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide
CID 116848774
1-(4-ethoxy-3-fluorophenyl)propan-2-one
CID 82491351

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one?
The IUPAC name of 5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one (CID 116910641) is 5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one.
What is the SMILES notation for 5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one?
The canonical SMILES for 5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one is CCOc1ccc(C(CCC(C)=O)N(C)C)cc1F.
What is the InChIKey of 5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one?
The InChIKey is UDEMOOXRJAKKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-5-19-15-9-7-12(10-13(15)16)14(17(3)4)8-6-11(2)18/h7,9-10,14H,5-6,8H2,1-4H3.
What are the key properties of 5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one?
5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one has a molecular weight of 267.34 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one is sourced from PubChem (CID 116910641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).