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

C16H22FNO2 — CID 107399827

IUPAC2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(OC)c(F)c1)CC1CCC1
InChIInChI=1S/C16H22FNO2/c1-3-18(10-12-5-4-6-12)11-15(19)13-7-8-16(20-2)14(17)9-13/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyFHTIIAHCPODBDZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.14
Rot. Bonds7

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

2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 107399827) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID107399827
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(OC)c(F)c1)CC1CCC1
InChIInChI=1S/C16H22FNO2/c1-3-18(10-12-5-4-6-12)11-15(19)13-7-8-16(20-2)14(17)9-13/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyFHTIIAHCPODBDZ-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
CID 107399792
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
1-(1,3-benzodioxol-5-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
CID 107399799
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43795984
1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860808
1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62053535
1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 61452057
2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227810
1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone
CID 63630548
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 107399827) is 2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone is CCN(CC(=O)c1ccc(OC)c(F)c1)CC1CCC1.
What is the InChIKey of 2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is FHTIIAHCPODBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-3-18(10-12-5-4-6-12)11-15(19)13-7-8-16(20-2)14(17)9-13/h7-9,12H,3-6,10-11H2,1-2H3.
What are the key properties of 2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 279.36 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-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 107399827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).