1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone

C15H21FN2O — CID 63207392

IUPAC1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
SMILESCN(CCN1CCCC1)CC(=O)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-17(9-10-18-7-2-3-8-18)12-15(19)13-5-4-6-14(16)11-13/h4-6,11H,2-3,7-10,12H2,1H3
InChIKeyVTENMEKQEMGTQD-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.04
Rot. Bonds6

About 1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone

1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone (PubChem CID 63207392) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
PubChem CID63207392
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
SMILESCN(CCN1CCCC1)CC(=O)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-17(9-10-18-7-2-3-8-18)12-15(19)13-5-4-6-14(16)11-13/h4-6,11H,2-3,7-10,12H2,1H3
InChIKeyVTENMEKQEMGTQD-UHFFFAOYSA-N
XLogP2.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207519
1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207252
1-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227335
1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796075
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207824
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
CID 43797315
3-[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]-2-methylpropanenitrile
CID 62051693
1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62643371
3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one
CID 62619215

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone (CID 63207392) is 1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone is CN(CCN1CCCC1)CC(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The InChIKey is VTENMEKQEMGTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-17(9-10-18-7-2-3-8-18)12-15(19)13-5-4-6-14(16)11-13/h4-6,11H,2-3,7-10,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone has a molecular weight of 264.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone is sourced from PubChem (CID 63207392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).