3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane

C15H20FN — CID 105493409

IUPAC3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane
SMILESCc1cccc(C(F)C2CC3CCC(C2)N3)c1
InChIInChI=1S/C15H20FN/c1-10-3-2-4-11(7-10)15(16)12-8-13-5-6-14(9-12)17-13/h2-4,7,12-15,17H,5-6,8-9H2,1H3
InChIKeyPNTKCPCSBIXZHK-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.54
Rot. Bonds2

About 3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane

3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane (PubChem CID 105493409) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane
PubChem CID105493409
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane
SMILESCc1cccc(C(F)C2CC3CCC(C2)N3)c1
InChIInChI=1S/C15H20FN/c1-10-3-2-4-11(7-10)15(16)12-8-13-5-6-14(9-12)17-13/h2-4,7,12-15,17H,5-6,8-9H2,1H3
InChIKeyPNTKCPCSBIXZHK-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride
CID 119810421
N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 105470482
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602
1-methyl-3-(1,2,2-trifluoroethyl)benzene
CID 147922323
(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369428
2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581
1-[fluoro(phenyl)methyl]-3-methylbenzene
CID 54364294
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847
3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine
CID 115790226

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane (CID 105493409) is 3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane is Cc1cccc(C(F)C2CC3CCC(C2)N3)c1.
What is the InChIKey of 3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is PNTKCPCSBIXZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-10-3-2-4-11(7-10)15(16)12-8-13-5-6-14(9-12)17-13/h2-4,7,12-15,17H,5-6,8-9H2,1H3.
What are the key properties of 3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane?
3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 233.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 105493409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).