1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine

C14H20F2N2 — CID 107519852

IUPAC1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCCN1CC(N)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2/c1-2-11-4-3-7-18(11)9-14(17)12-8-10(15)5-6-13(12)16/h5-6,8,11,14H,2-4,7,9,17H2,1H3
InChIKeyCVCIINIYRLQCIJ-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.84
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine

1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine (PubChem CID 107519852) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
PubChem CID107519852
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCCN1CC(N)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2/c1-2-11-4-3-7-18(11)9-14(17)12-8-10(15)5-6-13(12)16/h5-6,8,11,14H,2-4,7,9,17H2,1H3
InChIKeyCVCIINIYRLQCIJ-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058265
2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107519853
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(2,5-difluorophenyl)ethanamine
CID 107522127
1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882989
1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 107520774
1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074393
3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645120
1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 107520830
(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63368240
1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine
CID 107521390
2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43266464
1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 107522065

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine (CID 107519852) is 1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine is CCC1CCCN1CC(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The InChIKey is CVCIINIYRLQCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-2-11-4-3-7-18(11)9-14(17)12-8-10(15)5-6-13(12)16/h5-6,8,11,14H,2-4,7,9,17H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine has a molecular weight of 254.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 107519852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).