N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

C15H20F2N2 — CID 105364354

IUPACN-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(NC1CCN2CCC1C2)c1c(F)cccc1F
InChIInChI=1S/C15H20F2N2/c1-10(15-12(16)3-2-4-13(15)17)18-14-6-8-19-7-5-11(14)9-19/h2-4,10-11,14,18H,5-9H2,1H3
InChIKeyPZEHQIBBDXDOJZ-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.71
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364354) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364354
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(NC1CCN2CCC1C2)c1c(F)cccc1F
InChIInChI=1S/C15H20F2N2/c1-10(15-12(16)3-2-4-13(15)17)18-14-6-8-19-7-5-11(14)9-19/h2-4,10-11,14,18H,5-9H2,1H3
InChIKeyPZEHQIBBDXDOJZ-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364745
N-[1-(4-methylsulfanylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364028
N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 114985358
N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364766
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364151
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43545077
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364025
cyclopropyl-[(3R,4R)-4-[[(1R)-1-(2,6-difluorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]methanone
CID 98791488
2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine
CID 43673897
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115724414
N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364634
N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364541

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364354) is N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is CC(NC1CCN2CCC1C2)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is PZEHQIBBDXDOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-10(15-12(16)3-2-4-13(15)17)18-14-6-8-19-7-5-11(14)9-19/h2-4,10-11,14,18H,5-9H2,1H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 266.33 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 N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).