2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine

C17H24F2N2 — CID 43628049

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine
SMILESNCC(c1ccc(F)c(F)c1)N1CCCC2CCCCC21
InChIInChI=1S/C17H24F2N2/c18-14-8-7-13(10-15(14)19)17(11-20)21-9-3-5-12-4-1-2-6-16(12)21/h7-8,10,12,16-17H,1-6,9,11,20H2
InChIKeyUXTHYCFPJLUALL-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.62
Rot. Bonds3

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine (PubChem CID 43628049) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine
PubChem CID43628049
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine
SMILESNCC(c1ccc(F)c(F)c1)N1CCCC2CCCCC21
InChIInChI=1S/C17H24F2N2/c18-14-8-7-13(10-15(14)19)17(11-20)21-9-3-5-12-4-1-2-6-16(12)21/h7-8,10,12,16-17H,1-6,9,11,20H2
InChIKeyUXTHYCFPJLUALL-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881927
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65319130
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 82752173
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(3,5-difluorophenyl)ethanamine
CID 106528687
2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266330
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(2,4-difluorophenyl)ethanamine
CID 102725786
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-bromo-3-methylphenyl)ethanamine
CID 66474433
2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053569
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817511
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114843235
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-bromophenyl)ethanamine
CID 65319165
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65319110

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine (CID 43628049) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine is NCC(c1ccc(F)c(F)c1)N1CCCC2CCCCC21.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine?
The InChIKey is UXTHYCFPJLUALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c18-14-8-7-13(10-15(14)19)17(11-20)21-9-3-5-12-4-1-2-6-16(12)21/h7-8,10,12,16-17H,1-6,9,11,20H2.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine has a molecular weight of 294.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine is sourced from PubChem (CID 43628049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).