(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine

C12H16F2N2 — CID 93285194

IUPAC(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
SMILESNC[C@@H](c1cc(F)ccc1F)N1CCCC1
InChIInChI=1S/C12H16F2N2/c13-9-3-4-11(14)10(7-9)12(8-15)16-5-1-2-6-16/h3-4,7,12H,1-2,5-6,8,15H2/t12-/m0/s1
InChIKeyCLYKXGWKSBKPPK-LBPRGKRZSA-N
MW226.27 g/mol
LogP2.06
Rot. Bonds3

About (2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine

(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 93285194) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID93285194
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
SMILESNC[C@@H](c1cc(F)ccc1F)N1CCCC1
InChIInChI=1S/C12H16F2N2/c13-9-3-4-11(14)10(7-9)12(8-15)16-5-1-2-6-16/h3-4,7,12H,1-2,5-6,8,15H2/t12-/m0/s1
InChIKeyCLYKXGWKSBKPPK-LBPRGKRZSA-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-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 114075463
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527801
3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine
CID 69312368
2-(2,5-difluorophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 104958120
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182462
1-[1-(2,5-difluorophenyl)propyl]-1,4-diazepane
CID 82298844

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of (2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine (CID 93285194) is (2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for (2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for (2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine is NC[C@@H](c1cc(F)ccc1F)N1CCCC1.
What is the InChIKey of (2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is CLYKXGWKSBKPPK-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-9-3-4-11(14)10(7-9)12(8-15)16-5-1-2-6-16/h3-4,7,12H,1-2,5-6,8,15H2/t12-/m0/s1.
What are the key properties of (2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine?
(2R)-2-(2,5-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 (2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 93285194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).