N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine

C16H22F2N2O — CID 105364151

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(NC1CCN2CCC1C2)c1ccccc1OC(F)F
InChIInChI=1S/C16H22F2N2O/c1-11(13-4-2-3-5-15(13)21-16(17)18)19-14-7-9-20-8-6-12(14)10-20/h2-5,11-12,14,16,19H,6-10H2,1H3
InChIKeyVUZOMBPKNJOYOF-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.03
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364151) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364151
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(NC1CCN2CCC1C2)c1ccccc1OC(F)F
InChIInChI=1S/C16H22F2N2O/c1-11(13-4-2-3-5-15(13)21-16(17)18)19-14-7-9-20-8-6-12(14)10-20/h2-5,11-12,14,16,19H,6-10H2,1H3
InChIKeyVUZOMBPKNJOYOF-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine
CID 43373385
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715882
N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364354
N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine
CID 113262690
N-[(1S)-1-(2-methylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 81374392
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751364
3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine
CID 79461771
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860740
N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83006799
N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 114985358
N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364745
N-[1-[2-(difluoromethoxy)phenyl]ethyl]thian-3-amine
CID 55129593

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364151) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine is CC(NC1CCN2CCC1C2)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is VUZOMBPKNJOYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-11(13-4-2-3-5-15(13)21-16(17)18)19-14-7-9-20-8-6-12(14)10-20/h2-5,11-12,14,16,19H,6-10H2,1H3.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 296.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).