2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone

C14H20FNO2 — CID 43227810

IUPAC2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCCCN(C)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-4-5-8-16(2)10-13(17)11-6-7-14(18-3)12(15)9-11/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyQKVFYAQIMNEVQM-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.75
Rot. Bonds7

About 2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone

2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 43227810) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID43227810
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCCCN(C)CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-4-5-8-16(2)10-13(17)11-6-7-14(18-3)12(15)9-11/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyQKVFYAQIMNEVQM-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 63700928
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 61452057
2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43795984
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796075
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
1-(3-bromo-4-methoxyphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
CID 114237489
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63492657

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 43227810) is 2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone is CCCCN(C)CC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is QKVFYAQIMNEVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-5-8-16(2)10-13(17)11-6-7-14(18-3)12(15)9-11/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of 2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 253.32 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 43227810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).