3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one

C13H18FNO — CID 116566877

IUPAC3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one
SMILESCCNC(C)CC(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H18FNO/c1-4-15-10(3)8-13(16)12-6-5-11(14)7-9(12)2/h5-7,10,15H,4,8H2,1-3H3
InChIKeyZKXOKLCKEIBHAJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.70
Rot. Bonds5

About 3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one

3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one (PubChem CID 116566877) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one
PubChem CID116566877
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one
SMILESCCNC(C)CC(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H18FNO/c1-4-15-10(3)8-13(16)12-6-5-11(14)7-9(12)2/h5-7,10,15H,4,8H2,1-3H3
InChIKeyZKXOKLCKEIBHAJ-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one
CID 105376567
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326
3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 116612864
1-(4-fluoro-2-methylphenyl)-2-propan-2-ylsulfanylethanone
CID 65134273
3-(ethylamino)-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116566853
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 79954422
1-(4-fluoro-2-methylphenyl)hexan-1-one
CID 71197787
1-(2-chloro-4-fluorophenyl)-4-(ethylamino)pentan-2-one
CID 116566762
4-amino-1-(4-fluoro-2-methylphenyl)-4-methylpentan-1-one
CID 116571504
1-(4-fluoro-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 81274461
1-(4-fluoro-2-methylphenyl)-4-(methylamino)butan-1-one
CID 116555760
3-(ethylamino)-1-(3-methylphenyl)butan-1-one
CID 116566722

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one?
The IUPAC name of 3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one (CID 116566877) is 3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one is CCNC(C)CC(=O)c1ccc(F)cc1C.
What is the InChIKey of 3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one?
The InChIKey is ZKXOKLCKEIBHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-4-15-10(3)8-13(16)12-6-5-11(14)7-9(12)2/h5-7,10,15H,4,8H2,1-3H3.
What are the key properties of 3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one?
3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one has a molecular weight of 223.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one is sourced from PubChem (CID 116566877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).