1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane

C12H14ClN — CID 115063816

IUPAC1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane
SMILESClc1ccccc1C12CCC(CN1)C2
InChIInChI=1S/C12H14ClN/c13-11-4-2-1-3-10(11)12-6-5-9(7-12)8-14-12/h1-4,9,14H,5-8H2
InChIKeyLYMWYTAGAWQEMT-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.94
Rot. Bonds1

About 1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane

1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 115063816) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane
PubChem CID115063816
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane
SMILESClc1ccccc1C12CCC(CN1)C2
InChIInChI=1S/C12H14ClN/c13-11-4-2-1-3-10(11)12-6-5-9(7-12)8-14-12/h1-4,9,14H,5-8H2
InChIKeyLYMWYTAGAWQEMT-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane (CID 115063816) is 1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane is Clc1ccccc1C12CCC(CN1)C2.
What is the InChIKey of 1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is LYMWYTAGAWQEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c13-11-4-2-1-3-10(11)12-6-5-9(7-12)8-14-12/h1-4,9,14H,5-8H2.
What are the key properties of 1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane?
1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 207.70 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 115063816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).