2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane

C13H16ClN — CID 10331118

IUPAC2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane
SMILESCN1C2CCC1C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C13H16ClN/c1-15-11-6-7-13(15)12(8-11)9-2-4-10(14)5-3-9/h2-5,11-13H,6-8H2,1H3
InChIKeyGIBMVDGLFWHJMW-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.29
Rot. Bonds1

About 2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane

2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane (PubChem CID 10331118) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane
PubChem CID10331118
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane
SMILESCN1C2CCC1C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C13H16ClN/c1-15-11-6-7-13(15)12(8-11)9-2-4-10(14)5-3-9/h2-5,11-13H,6-8H2,1H3
InChIKeyGIBMVDGLFWHJMW-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane (CID 10331118) is 2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane is CN1C2CCC1C(c1ccc(Cl)cc1)C2.
What is the InChIKey of 2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane?
The InChIKey is GIBMVDGLFWHJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c1-15-11-6-7-13(15)12(8-11)9-2-4-10(14)5-3-9/h2-5,11-13H,6-8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane?
2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane has a molecular weight of 221.73 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 10331118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).