1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone

C15H22FNO2 — CID 55000062

IUPAC1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone
SMILESCCC(C)N(CCOC)c1cccc(F)c1C(C)=O
InChIInChI=1S/C15H22FNO2/c1-5-11(2)17(9-10-19-4)14-8-6-7-13(16)15(14)12(3)18/h6-8,11H,5,9-10H2,1-4H3
InChIKeyWZCROQFUQMNMCZ-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.28
Rot. Bonds7

About 1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone

1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone (PubChem CID 55000062) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone
PubChem CID55000062
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone
SMILESCCC(C)N(CCOC)c1cccc(F)c1C(C)=O
InChIInChI=1S/C15H22FNO2/c1-5-11(2)17(9-10-19-4)14-8-6-7-13(16)15(14)12(3)18/h6-8,11H,5,9-10H2,1-4H3
InChIKeyWZCROQFUQMNMCZ-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(2-methoxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519526
1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677386
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone
CID 103189335
2-[(1S)-1-aminoethyl]-3-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 78935533
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzoic acid
CID 55000117
(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940624
1-N-butan-2-yl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 55001534
2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde
CID 54999779
1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone
CID 60678476
4-[butan-2-yl(2-methoxyethyl)amino]-3,5-difluorobenzoic acid
CID 63077205
3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
CID 62648719

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone (CID 55000062) is 1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone is CCC(C)N(CCOC)c1cccc(F)c1C(C)=O.
What is the InChIKey of 1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone?
The InChIKey is WZCROQFUQMNMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-5-11(2)17(9-10-19-4)14-8-6-7-13(16)15(14)12(3)18/h6-8,11H,5,9-10H2,1-4H3.
What are the key properties of 1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone?
1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone has a molecular weight of 267.34 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone is sourced from PubChem (CID 55000062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).