2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine

C12H16F2N2 — CID 16791427

IUPAC2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine
SMILESNCC(c1c(F)cccc1F)N1CCCC1
InChIInChI=1S/C12H16F2N2/c13-9-4-3-5-10(14)12(9)11(8-15)16-6-1-2-7-16/h3-5,11H,1-2,6-8,15H2
InChIKeyXOVXXQWEUKCKQA-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.06
Rot. Bonds3

About 2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine

2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 16791427) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID16791427
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine
SMILESNCC(c1c(F)cccc1F)N1CCCC1
InChIInChI=1S/C12H16F2N2/c13-9-4-3-5-10(14)12(9)11(8-15)16-6-1-2-7-16/h3-5,11H,1-2,6-8,15H2
InChIKeyXOVXXQWEUKCKQA-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
(2R)-2-(2,6-difluorophenyl)-2-morpholin-4-ylethanamine
CID 30115194
2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine
CID 61440571
2-(2-chloro-6-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 65283784
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(2,6-difluorophenyl)ethanamine
CID 63150024
3-(2,6-difluorophenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 64528925
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552537
3-(azepan-1-yl)-3-(2,6-difluorophenyl)propanoic acid
CID 64528307
2-(2,6-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16786148
2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965128
2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157457
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 115559256

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine (CID 16791427) is 2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine is NCC(c1c(F)cccc1F)N1CCCC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is XOVXXQWEUKCKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-9-4-3-5-10(14)12(9)11(8-15)16-6-1-2-7-16/h3-5,11H,1-2,6-8,15H2.
What are the key properties of 2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine?
2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 226.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 16791427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).