2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone

C14H20FNO2 — CID 55010646

IUPAC2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone
SMILESCCN(CC(=O)c1cccc(F)c1)C(C)COC
InChIInChI=1S/C14H20FNO2/c1-4-16(11(2)10-18-3)9-14(17)12-6-5-7-13(15)8-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyNHHWBOMQODEJEF-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.37
Rot. Bonds7

About 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone

2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone (PubChem CID 55010646) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone
PubChem CID55010646
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone
SMILESCCN(CC(=O)c1cccc(F)c1)C(C)COC
InChIInChI=1S/C14H20FNO2/c1-4-16(11(2)10-18-3)9-14(17)12-6-5-7-13(15)8-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyNHHWBOMQODEJEF-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
CID 54949360
2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone
CID 43795891
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55010600
2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43795984
2-(N-ethylanilino)-1-(3-fluorophenyl)ethanone
CID 43227492
N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
CID 142548394
2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62036895
2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 54999936
2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 43795952
(3R)-1-(3-fluorophenyl)-3-iodobutan-1-one
CID 143250883
1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796075

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone (CID 55010646) is 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone is CCN(CC(=O)c1cccc(F)c1)C(C)COC.
What is the InChIKey of 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone?
The InChIKey is NHHWBOMQODEJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-16(11(2)10-18-3)9-14(17)12-6-5-7-13(15)8-12/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone?
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone has a molecular weight of 253.32 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 55010646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).