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

C37H54ClF2N3O3 — CID 159234164

IUPAC3-[(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
SMILESCN1C2CCC1CC(O)C2.CN1C2CCC1CC(OCc1ccccc1F)C2.Cl.Fc1ccccc1COC1CC2CCC(C1)N2
InChIInChI=1S/C15H20FNO.C14H18FNO.C8H15NO.ClH/c1-17-12-6-7-13(17)9-14(8-12)18-10-11-4-2-3-5-15(11)16;15-14-4-2-1-3-10(14)9-17-13-7-11-5-6-12(8-13)16-11;1-9-6-2-3-7(9)5-8(10)4-6;/h2-5,12-14H,6-10H2,1H3;1-4,11-13,16H,5-9H2;6-8,10H,2-5H2,1H3;1H
InChIKeyUGRYFHGLRZXPMD-UHFFFAOYSA-N
MW662.31 g/mol
LogP6.62
Rot. Bonds6

About 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

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 (PubChem CID 159234164) has the molecular formula C37H54ClF2N3O3 and a molecular weight of 662.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID159234164
Molecular FormulaC37H54ClF2N3O3
Molecular Weight662.31 g/mol
Exact Mass661.38
IUPAC Name3-[(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
SMILESCN1C2CCC1CC(O)C2.CN1C2CCC1CC(OCc1ccccc1F)C2.Cl.Fc1ccccc1COC1CC2CCC(C1)N2
InChIInChI=1S/C15H20FNO.C14H18FNO.C8H15NO.ClH/c1-17-12-6-7-13(17)9-14(8-12)18-10-11-4-2-3-5-15(11)16;15-14-4-2-1-3-10(14)9-17-13-7-11-5-6-12(8-13)16-11;1-9-6-2-3-7(9)5-8(10)4-6;/h2-5,12-14H,6-10H2,1H3;1-4,11-13,16H,5-9H2;6-8,10H,2-5H2,1H3;1H
InChIKeyUGRYFHGLRZXPMD-UHFFFAOYSA-N
XLogP6.62
TPSA57.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.31
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C2CCC1CC(O)C2.CN1C2CCC1CC(OCc1ccccc1F)C2.Cl.Fc1ccccc1COC1CC2CCC(C1)N2.
What is the InChIKey of 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?
The InChIKey is UGRYFHGLRZXPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO.C14H18FNO.C8H15NO.ClH/c1-17-12-6-7-13(17)9-14(8-12)18-10-11-4-2-3-5-15(11)16;15-14-4-2-1-3-10(14)9-17-13-7-11-5-6-12(8-13)16-11;1-9-6-2-3-7(9)5-8(10)4-6;/h2-5,12-14H,6-10H2,1H3;1-4,11-13,16H,5-9H2;6-8,10H,2-5H2,1H3;1H.
What are the key properties of 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?
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 has a molecular weight of 662.31 g/mol, XLogP of 6.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159234164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).