1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane

C14H19N — CID 115068341

IUPAC1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane
SMILESCc1ccccc1C12CCC(CCN1)C2
InChIInChI=1S/C14H19N/c1-11-4-2-3-5-13(11)14-8-6-12(10-14)7-9-15-14/h2-5,12,15H,6-10H2,1H3
InChIKeyHRLRKJACKSZSNV-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.98
Rot. Bonds1

About 1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane

1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane (PubChem CID 115068341) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane
PubChem CID115068341
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane
SMILESCc1ccccc1C12CCC(CCN1)C2
InChIInChI=1S/C14H19N/c1-11-4-2-3-5-13(11)14-8-6-12(10-14)7-9-15-14/h2-5,12,15H,6-10H2,1H3
InChIKeyHRLRKJACKSZSNV-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane?
The IUPAC name of 1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane (CID 115068341) is 1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane is Cc1ccccc1C12CCC(CCN1)C2.
What is the InChIKey of 1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane?
The InChIKey is HRLRKJACKSZSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11-4-2-3-5-13(11)14-8-6-12(10-14)7-9-15-14/h2-5,12,15H,6-10H2,1H3.
What are the key properties of 1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane?
1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane has a molecular weight of 201.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane is sourced from PubChem (CID 115068341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).