8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H17F3N2O — CID 63762917

IUPAC8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1ccc(N2C3CCC2CC(O)C3)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-5-8(18)1-4-13(12)19-9-2-3-10(19)7-11(20)6-9/h1,4-5,9-11,20H,2-3,6-7,18H2
InChIKeyXDGSQXYVOUKNHY-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.78
Rot. Bonds1

About 8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63762917) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63762917
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1ccc(N2C3CCC2CC(O)C3)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-5-8(18)1-4-13(12)19-9-2-3-10(19)7-11(20)6-9/h1,4-5,9-11,20H,2-3,6-7,18H2
InChIKeyXDGSQXYVOUKNHY-UHFFFAOYSA-N
XLogP2.78
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol 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

4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(trifluoromethyl)benzonitrile
CID 118732596
4-(4-Methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline
CID 50989293
1-(4-Amino-3-methylphenyl)piperidin-4-ol
CID 43436160
(3R)-1-[2-methyl-4-[(2S)-2-methylpiperazin-1-yl]phenyl]pyrrolidin-3-ol;hydrochloride
CID 56588434
1-(4-Amino-3-methylphenyl)piperidin-3-ol
CID 43502899
1-[4-Amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 53408258
6-[2-(2-hydroxyethyl)-5-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 11522947
6-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 11544390
4-(3-Hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(trifluoromethyl)benzonitrile
CID 11587436
4-(3-Hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(trifluoromethyl)benzonitrile
CID 11673779
4-[4-amino-N-(4-hydroxybutyl)-3-(trifluoromethyl)anilino]butan-1-ol
CID 20738807
6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279100

Frequently Asked Questions

What is the IUPAC name of 8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63762917) is 8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is Nc1ccc(N2C3CCC2CC(O)C3)c(C(F)(F)F)c1.
What is the InChIKey of 8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XDGSQXYVOUKNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)12-5-8(18)1-4-13(12)19-9-2-3-10(19)7-11(20)6-9/h1,4-5,9-11,20H,2-3,6-7,18H2.
What are the key properties of 8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 286.30 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-amino-2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63762917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).