2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine

C14H21FN2 — CID 107519853

IUPAC2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
SMILESCCC1CCCN1CC(N)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-2-13-4-3-9-17(13)10-14(16)11-5-7-12(15)8-6-11/h5-8,13-14H,2-4,9-10,16H2,1H3
InChIKeyNIZARAIBOQBUMG-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.70
Rot. Bonds4

About 2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine

2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine (PubChem CID 107519853) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
PubChem CID107519853
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
SMILESCCC1CCCN1CC(N)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-2-13-4-3-9-17(13)10-14(16)11-5-7-12(15)8-6-11/h5-8,13-14H,2-4,9-10,16H2,1H3
InChIKeyNIZARAIBOQBUMG-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645120
1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 107519852
2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 60973388
2-(2-ethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058265
2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014
1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882989
(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine
CID 103934506
1-(4-propylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052836
1-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16643559
(2R)-1-(2-ethylpyrrolidin-1-yl)-3-phenylpropan-2-amine
CID 112736480
3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586348
1-[1-[2-(4-fluorophenyl)propyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842739

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine (CID 107519853) is 2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine is CCC1CCCN1CC(N)c1ccc(F)cc1.
What is the InChIKey of 2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine?
The InChIKey is NIZARAIBOQBUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-13-4-3-9-17(13)10-14(16)11-5-7-12(15)8-6-11/h5-8,13-14H,2-4,9-10,16H2,1H3.
What are the key properties of 2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine?
2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 107519853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).