2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone

C14H19FN2O — CID 47006721

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)Cc1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-16(10-12-6-2-3-7-13(12)15)11-14(18)17-8-4-5-9-17/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyDRGXOLGKFLKFFX-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.88
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone

2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 47006721) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID47006721
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)Cc1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-16(10-12-6-2-3-7-13(12)15)11-14(18)17-8-4-5-9-17/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyDRGXOLGKFLKFFX-UHFFFAOYSA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 4824777
2-[(2-fluorophenyl)methyl-methylamino]-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone
CID 91831609
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 64770262
2-[(2-fluorophenyl)methyl-methylamino]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 91786226
2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 91765336
2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60627449
2-[(2-fluorophenyl)methyl-methylamino]-1-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone
CID 157012890
1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one
CID 60692160
N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139188
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791
2-[(2-amino-4-chlorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 62102227

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone (CID 47006721) is 2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is DRGXOLGKFLKFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-16(10-12-6-2-3-7-13(12)15)11-14(18)17-8-4-5-9-17/h2-3,6-7H,4-5,8-11H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 250.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 47006721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).