2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane

C12H13Cl2N — CID 67803634

IUPAC2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane
SMILESClc1ccc(C2CC3CCC2N3)c(Cl)c1
InChIInChI=1S/C12H13Cl2N/c13-7-1-3-9(11(14)5-7)10-6-8-2-4-12(10)15-8/h1,3,5,8,10,12,15H,2,4,6H2
InChIKeyMQNGDQRYCDXZRI-UHFFFAOYSA-N
MW242.15 g/mol
LogP3.60
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane

2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 67803634) has the molecular formula C12H13Cl2N and a molecular weight of 242.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane
PubChem CID67803634
Molecular FormulaC12H13Cl2N
Molecular Weight242.15 g/mol
Exact Mass241.04
IUPAC Name2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane
SMILESClc1ccc(C2CC3CCC2N3)c(Cl)c1
InChIInChI=1S/C12H13Cl2N/c13-7-1-3-9(11(14)5-7)10-6-8-2-4-12(10)15-8/h1,3,5,8,10,12,15H,2,4,6H2
InChIKeyMQNGDQRYCDXZRI-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane (CID 67803634) is 2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane is Clc1ccc(C2CC3CCC2N3)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is MQNGDQRYCDXZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N/c13-7-1-3-9(11(14)5-7)10-6-8-2-4-12(10)15-8/h1,3,5,8,10,12,15H,2,4,6H2.
What are the key properties of 2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane?
2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 242.15 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 67803634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).