N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C14H18F2N2 — CID 43131807

IUPACN-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1c(F)cccc1F)C2
InChIInChI=1S/C14H18F2N2/c1-18-10-5-6-11(18)8-9(7-10)17-14-12(15)3-2-4-13(14)16/h2-4,9-11,17H,5-8H2,1H3
InChIKeyLCKSVXMMPHEUTB-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.00
Rot. Bonds2

About N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131807) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131807
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC NameN-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1c(F)cccc1F)C2
InChIInChI=1S/C14H18F2N2/c1-18-10-5-6-11(18)8-9(7-10)17-14-12(15)3-2-4-13(14)16/h2-4,9-11,17H,5-8H2,1H3
InChIKeyLCKSVXMMPHEUTB-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-6-nitrophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 81305631
8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 18363250
1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
CID 62983179
N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131668
N-(3-bromo-4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113451938
N-(2,6-difluorophenyl)cycloheptanamine
CID 28974538
N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131809
2-(2-fluorophenyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 11888542
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
(2,6-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681101
8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131680
1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 150617333

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43131807) is N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(Nc1c(F)cccc1F)C2.
What is the InChIKey of N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LCKSVXMMPHEUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2/c1-18-10-5-6-11(18)8-9(7-10)17-14-12(15)3-2-4-13(14)16/h2-4,9-11,17H,5-8H2,1H3.
What are the key properties of N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 252.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).