2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine

C13H18F2N2 — CID 54881927

IUPAC2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCCN1C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2/c1-9-3-2-6-17(9)13(8-16)10-4-5-11(14)12(15)7-10/h4-5,7,9,13H,2-3,6,8,16H2,1H3
InChIKeyWIINAICUMDAIQJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.45
Rot. Bonds3

About 2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine

2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine (PubChem CID 54881927) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
PubChem CID54881927
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCCN1C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2/c1-9-3-2-6-17(9)13(8-16)10-4-5-11(14)12(15)7-10/h4-5,7,9,13H,2-3,6,8,16H2,1H3
InChIKeyWIINAICUMDAIQJ-UHFFFAOYSA-N
XLogP2.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine
CID 43628049
2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881976
2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266330
2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882022
2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053569
2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124067
2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43180363
2-(3-bromo-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62125147
2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61225182
2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 114053992
2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 55233922
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65319130

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine (CID 54881927) is 2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine is CC1CCCN1C(CN)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is WIINAICUMDAIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-9-3-2-6-17(9)13(8-16)10-4-5-11(14)12(15)7-10/h4-5,7,9,13H,2-3,6,8,16H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 240.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 54881927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).