1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone

C16H23FN2O2 — CID 63207824

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
SMILESCOc1ccc(F)cc1C(=O)CN(C)CCN1CCCC1
InChIInChI=1S/C16H23FN2O2/c1-18(9-10-19-7-3-4-8-19)12-15(20)14-11-13(17)5-6-16(14)21-2/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyVQBLPFSREUZCOQ-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.04
Rot. Bonds7

About 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone

1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone (PubChem CID 63207824) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
PubChem CID63207824
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
SMILESCOc1ccc(F)cc1C(=O)CN(C)CCN1CCCC1
InChIInChI=1S/C16H23FN2O2/c1-18(9-10-19-7-3-4-8-19)12-15(20)14-11-13(17)5-6-16(14)21-2/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyVQBLPFSREUZCOQ-UHFFFAOYSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795594
2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62051933
1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207392
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
1-(5-fluoro-2-methoxyphenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62334675
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
1-(5-fluoro-2-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62051168
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43228143
2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60680062
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228410
4-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366237
5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
CID 63207861

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone (CID 63207824) is 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone is COc1ccc(F)cc1C(=O)CN(C)CCN1CCCC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The InChIKey is VQBLPFSREUZCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-18(9-10-19-7-3-4-8-19)12-15(20)14-11-13(17)5-6-16(14)21-2/h5-6,11H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone has a molecular weight of 294.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone is sourced from PubChem (CID 63207824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).