2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone

C15H22FNO2 — CID 43795984

IUPAC2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCC(C)N(CC)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-5-11(3)17(6-2)10-14(18)12-7-8-15(19-4)13(16)9-12/h7-9,11H,5-6,10H2,1-4H3
InChIKeyVDOBYSMITZNUOZ-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.14
Rot. Bonds7

About 2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone

2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 43795984) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID43795984
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCC(C)N(CC)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-5-11(3)17(6-2)10-14(18)12-7-8-15(19-4)13(16)9-12/h7-9,11H,5-6,10H2,1-4H3
InChIKeyVDOBYSMITZNUOZ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 61452057
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
2-butan-2-ylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220186
3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 81463484
2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227810
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 63700928
2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 107399827
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone
CID 55010646
ethyl 2-[(3-fluoro-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61022662
4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)butane-1,3-dione
CID 15484969

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 43795984) is 2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone is CCC(C)N(CC)CC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is VDOBYSMITZNUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-5-11(3)17(6-2)10-14(18)12-7-8-15(19-4)13(16)9-12/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 267.34 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 43795984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).