(1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride

C15H19ClF3NO2 — CID 68674533

IUPAC(1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.FC(F)(F)Oc1ccccc1COC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C15H18F3NO2.ClH/c16-15(17,18)21-14-4-2-1-3-10(14)9-20-13-7-11-5-6-12(8-13)19-11;/h1-4,11-13,19H,5-9H2;1H/t11-,12+,13?;
InChIKeyINAMBJGAWDPIQM-KOQCZNHOSA-N
MW337.77 g/mol
LogP3.81
Rot. Bonds4

About (1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride

(1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 68674533) has the molecular formula C15H19ClF3NO2 and a molecular weight of 337.77 g/mol. Its IUPAC name is (1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID68674533
Molecular FormulaC15H19ClF3NO2
Molecular Weight337.77 g/mol
Exact Mass337.11
IUPAC Name(1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.FC(F)(F)Oc1ccccc1COC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C15H18F3NO2.ClH/c16-15(17,18)21-14-4-2-1-3-10(14)9-20-13-7-11-5-6-12(8-13)19-11;/h1-4,11-13,19H,5-9H2;1H/t11-,12+,13?;
InChIKeyINAMBJGAWDPIQM-KOQCZNHOSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride 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

(1S,5R)-3-[[2-(difluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68676268
2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline
CID 89164220
3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;3-[(2-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
CID 159234164
(1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68676795
3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 114199692
1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene
CID 166609590
(1S,5R)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68673996
CID 142546618
CID 142546618
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 63297774
(1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 68673997
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of (1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride (CID 68674533) is (1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for (1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for (1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride is Cl.FC(F)(F)Oc1ccccc1COC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is INAMBJGAWDPIQM-KOQCZNHOSA-N. The full InChI is InChI=1S/C15H18F3NO2.ClH/c16-15(17,18)21-14-4-2-1-3-10(14)9-20-13-7-11-5-6-12(8-13)19-11;/h1-4,11-13,19H,5-9H2;1H/t11-,12+,13?;.
What are the key properties of (1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
(1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 337.77 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 68674533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).