8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H19F3N2O — CID 43131680

IUPAC8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1cccc(OC(F)(F)F)c1)C2
InChIInChI=1S/C15H19F3N2O/c1-20-12-5-6-13(20)8-11(7-12)19-10-3-2-4-14(9-10)21-15(16,17)18/h2-4,9,11-13,19H,5-8H2,1H3
InChIKeyLIBWJZFJEXTMKN-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.62
Rot. Bonds3

About 8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131680) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131680
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1cccc(OC(F)(F)F)c1)C2
InChIInChI=1S/C15H19F3N2O/c1-20-12-5-6-13(20)8-11(7-12)19-10-3-2-4-14(9-10)21-15(16,17)18/h2-4,9,11-13,19H,5-8H2,1H3
InChIKeyLIBWJZFJEXTMKN-UHFFFAOYSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 115871514
N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131809
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 18363250
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CID 43108619
3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65471399
N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide
CID 43131792
N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121637
4-[3-(trifluoromethoxy)anilino]oxolan-3-ol
CID 60899392
2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol
CID 112633237
3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754052
N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131668

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 43131680) is 8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(Nc1cccc(OC(F)(F)F)c1)C2.
What is the InChIKey of 8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LIBWJZFJEXTMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-20-12-5-6-13(20)8-11(7-12)19-10-3-2-4-14(9-10)21-15(16,17)18/h2-4,9,11-13,19H,5-8H2,1H3.
What are the key properties of 8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 300.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).