6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine

C12H14F3N3O — CID 102718838

IUPAC6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)7-3-10(16)17-11(4-7)18-5-8-1-2-9(6-18)19-8/h3-4,8-9H,1-2,5-6H2,(H2,16,17)
InChIKeyORDSVSHZZQNCAA-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.05
Rot. Bonds1

About 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine

6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102718838) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102718838
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)7-3-10(16)17-11(4-7)18-5-8-1-2-9(6-18)19-8/h3-4,8-9H,1-2,5-6H2,(H2,16,17)
InChIKeyORDSVSHZZQNCAA-UHFFFAOYSA-N
XLogP2.05
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 102717208
6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102717213
6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 102717810
methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 102719156
6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102719451
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718121
6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 116797018
2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 102717512
6-(4-ethyl-4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718426
4-[2,6-bis(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-yl]aniline
CID 66750270
6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102717181
[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102719469

Frequently Asked Questions

What is the IUPAC name of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 102718838) is 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(N2CC3CCC(C2)O3)n1.
What is the InChIKey of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ORDSVSHZZQNCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)7-3-10(16)17-11(4-7)18-5-8-1-2-9(6-18)19-8/h3-4,8-9H,1-2,5-6H2,(H2,16,17).
What are the key properties of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 273.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102718838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).