N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine

C14H17F3N2O — CID 43121637

IUPACN-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESFC(F)(F)Oc1cccc(NC2CN3CCC2CC3)c1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)20-12-3-1-2-11(8-12)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13,18H,4-7,9H2
InChIKeyHHFGSQLGMGZQKW-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.09
Rot. Bonds3

About N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43121637) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43121637
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESFC(F)(F)Oc1cccc(NC2CN3CCC2CC3)c1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)20-12-3-1-2-11(8-12)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13,18H,4-7,9H2
InChIKeyHHFGSQLGMGZQKW-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60934608
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(trifluoromethoxy)-1,2-benzoxazol-3-amine;hydrochloride
CID 140871503
4-[3-(trifluoromethoxy)anilino]oxolan-3-ol
CID 60899392
3-(1-azabicyclo[2.2.2]octan-3-ylamino)benzenesulfonamide
CID 43121602
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-phenyl-2-[3-(trifluoromethoxy)anilino]acetate
CID 59401212
(3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 162593417
4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 90404822
N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 11254890
8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131680
1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 115871514
N-(3,5-dimethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121578
N-[3-(trifluoromethoxy)phenyl]-1,5-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 75394664

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 43121637) is N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine is FC(F)(F)Oc1cccc(NC2CN3CCC2CC3)c1.
What is the InChIKey of N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is HHFGSQLGMGZQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)20-12-3-1-2-11(8-12)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13,18H,4-7,9H2.
What are the key properties of N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 286.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43121637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).