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

C13H18F2N2 — CID 55233922

IUPAC2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCCN1C(CN)c1cccc(F)c1F
InChIInChI=1S/C13H18F2N2/c1-9-4-3-7-17(9)12(8-16)10-5-2-6-11(14)13(10)15/h2,5-6,9,12H,3-4,7-8,16H2,1H3
InChIKeyWGSMHZYVZFTFJO-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.45
Rot. Bonds3

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

2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine (PubChem CID 55233922) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
PubChem CID55233922
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCCN1C(CN)c1cccc(F)c1F
InChIInChI=1S/C13H18F2N2/c1-9-4-3-7-17(9)12(8-16)10-5-2-6-11(14)13(10)15/h2,5-6,9,12H,3-4,7-8,16H2,1H3
InChIKeyWGSMHZYVZFTFJO-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-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 63667059
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 65319085
2-(2,6-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16786148
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 54881939
2-(2,3-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 63669105
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
CID 60973440
2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881927
2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 114053992
2-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 60974674
2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 63669113
1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83011438
2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 63668083

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine (CID 55233922) is 2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine is CC1CCCN1C(CN)c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is WGSMHZYVZFTFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-9-4-3-7-17(9)12(8-16)10-5-2-6-11(14)13(10)15/h2,5-6,9,12H,3-4,7-8,16H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
2-(2,3-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-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 55233922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).