2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine

C16H24F2N2 — CID 107521756

IUPAC2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine
SMILESCCC1(CC)CCN(CC(N)c2cc(F)ccc2F)C1
InChIInChI=1S/C16H24F2N2/c1-3-16(4-2)7-8-20(11-16)10-15(19)13-9-12(17)5-6-14(13)18/h5-6,9,15H,3-4,7-8,10-11,19H2,1-2H3
InChIKeyCUEBHUZRNQUPEL-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.48
Rot. Bonds5

About 2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine

2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine (PubChem CID 107521756) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine
PubChem CID107521756
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine
SMILESCCC1(CC)CCN(CC(N)c2cc(F)ccc2F)C1
InChIInChI=1S/C16H24F2N2/c1-3-16(4-2)7-8-20(11-16)10-15(19)13-9-12(17)5-6-14(13)18/h5-6,9,15H,3-4,7-8,10-11,19H2,1-2H3
InChIKeyCUEBHUZRNQUPEL-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 107520830
3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine
CID 115997005
1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 107520066
2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058293
1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 107522065
1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16785018
2-(4,4-diethylpiperidin-1-yl)-1-(2-methoxyphenyl)ethanamine
CID 63160864
1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
CID 82922237
1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 107519852
2-(4,4-diethylpiperidin-1-yl)-1-(4-ethylphenyl)ethanamine
CID 63467884
2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-fluorobenzonitrile
CID 103760887
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
CID 107522950

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine?
The IUPAC name of 2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine (CID 107521756) is 2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine is CCC1(CC)CCN(CC(N)c2cc(F)ccc2F)C1.
What is the InChIKey of 2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine?
The InChIKey is CUEBHUZRNQUPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-3-16(4-2)7-8-20(11-16)10-15(19)13-9-12(17)5-6-14(13)18/h5-6,9,15H,3-4,7-8,10-11,19H2,1-2H3.
What are the key properties of 2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine?
2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine has a molecular weight of 282.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 107521756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).