2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine

C16H22F2N2 — CID 114932592

IUPAC2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCN1C2CCC1CC(C(N)Cc1c(F)cccc1F)C2
InChIInChI=1S/C16H22F2N2/c1-20-11-5-6-12(20)8-10(7-11)16(19)9-13-14(17)3-2-4-15(13)18/h2-4,10-12,16H,5-9,19H2,1H3
InChIKeyRVOZIBKCJDUOHJ-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.71
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine

2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine (PubChem CID 114932592) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
PubChem CID114932592
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCN1C2CCC1CC(C(N)Cc1c(F)cccc1F)C2
InChIInChI=1S/C16H22F2N2/c1-20-11-5-6-12(20)8-10(7-11)16(19)9-13-14(17)3-2-4-15(13)18/h2-4,10-12,16H,5-9,19H2,1H3
InChIKeyRVOZIBKCJDUOHJ-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine with MolForge

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Related Compounds

[2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 105265894
(2,6-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681101
2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 103049065
2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825914
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65412373
1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine
CID 81099599
(2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998037
2-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 83906870
1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 63528053
N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131807
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112681099

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine (CID 114932592) is 2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine is CN1C2CCC1CC(C(N)Cc1c(F)cccc1F)C2.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The InChIKey is RVOZIBKCJDUOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-20-11-5-6-12(20)8-10(7-11)16(19)9-13-14(17)3-2-4-15(13)18/h2-4,10-12,16H,5-9,19H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
2-(2,6-difluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine has a molecular weight of 280.36 g/mol, XLogP of 2.71, 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)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine is sourced from PubChem (CID 114932592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).