1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane

C14H19N — CID 84776453

IUPAC1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane
SMILESCc1ccc(C23CCC(CNC2)C3)cc1
InChIInChI=1S/C14H19N/c1-11-2-4-13(5-3-11)14-7-6-12(8-14)9-15-10-14/h2-5,12,15H,6-10H2,1H3
InChIKeyKZIXKTUEWSAQKW-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.64
Rot. Bonds1

About 1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane

1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane (PubChem CID 84776453) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane
PubChem CID84776453
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane
SMILESCc1ccc(C23CCC(CNC2)C3)cc1
InChIInChI=1S/C14H19N/c1-11-2-4-13(5-3-11)14-7-6-12(8-14)9-15-10-14/h2-5,12,15H,6-10H2,1H3
InChIKeyKZIXKTUEWSAQKW-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)bicyclo[2.2.2]octane
CID 58390113
1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane
CID 84784252
1-(4-fluorophenyl)-3-azabicyclo[3.1.1]heptane
CID 73424902
1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 84770532
(5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 90840976
1-methyl-3-azabicyclo[3.2.1]octane
CID 55286397
1-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.1]heptane
CID 84776450
3,7-dimethyl-1,3,7-tris(4-methylphenyl)bicyclo[3.3.1]nonane
CID 143639532
4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol
CID 115063849
3-(4-methylphenyl)-1-azatricyclo[3.3.1.13,7]decane
CID 166814628
1-[4-(4-bromophenyl)phenyl]bicyclo[2.2.1]heptane
CID 156576322
1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane
CID 155643298

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane?
The IUPAC name of 1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane (CID 84776453) is 1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane is Cc1ccc(C23CCC(CNC2)C3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane?
The InChIKey is KZIXKTUEWSAQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11-2-4-13(5-3-11)14-7-6-12(8-14)9-15-10-14/h2-5,12,15H,6-10H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane?
1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane has a molecular weight of 201.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 84776453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).