2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one

C12H16FNO — CID 43794816

IUPAC2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
SMILESCCN(C)C(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-4-14(3)9(2)12(15)10-5-7-11(13)8-6-10/h5-9H,4H2,1-3H3
InChIKeyKUOUWSJNRVKMSJ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.35
Rot. Bonds4

About 2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one

2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one (PubChem CID 43794816) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
PubChem CID43794816
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
SMILESCCN(C)C(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-4-14(3)9(2)12(15)10-5-7-11(13)8-6-10/h5-9H,4H2,1-3H3
InChIKeyKUOUWSJNRVKMSJ-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
CID 62037415
1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794892
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one
CID 55010167
1-(4-fluorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62051227
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-propylamino]-N,N-dimethylacetamide
CID 62030734
1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one
CID 43798747
1,1-dichloroethane;2-(dimethylamino)-1-(4-fluorophenyl)butan-1-one
CID 174893820
1-(4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one
CID 62052645
1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
CID 43796194
2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 61427109

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one (CID 43794816) is 2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one is CCN(C)C(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one?
The InChIKey is KUOUWSJNRVKMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-4-14(3)9(2)12(15)10-5-7-11(13)8-6-10/h5-9H,4H2,1-3H3.
What are the key properties of 2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one?
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one has a molecular weight of 209.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 43794816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).