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

C15H21N — CID 84784252

IUPAC1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane
SMILESCc1ccc(CC23CCC(CNC2)C3)cc1
InChIInChI=1S/C15H21N/c1-12-2-4-13(5-3-12)8-15-7-6-14(9-15)10-16-11-15/h2-5,14,16H,6-11H2,1H3
InChIKeyLIBBEONUVSMEAN-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.93
Rot. Bonds2

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

1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane (PubChem CID 84784252) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane
PubChem CID84784252
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane
SMILESCc1ccc(CC23CCC(CNC2)C3)cc1
InChIInChI=1S/C15H21N/c1-12-2-4-13(5-3-12)8-15-7-6-14(9-15)10-16-11-15/h2-5,14,16H,6-11H2,1H3
InChIKeyLIBBEONUVSMEAN-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane (CID 84784252) is 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane is Cc1ccc(CC23CCC(CNC2)C3)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane?
The InChIKey is LIBBEONUVSMEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-12-2-4-13(5-3-12)8-15-7-6-14(9-15)10-16-11-15/h2-5,14,16H,6-11H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane?
1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane has a molecular weight of 215.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 84784252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).