2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine

C24H31Cl2N3 — CID 44585620

IUPAC2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine
SMILESCN(C)C12CCN(CCN)C(C(c3ccc(Cl)cc3)C1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C24H31Cl2N3/c1-28(2)24-11-13-29(14-12-27)23(21(15-24)17-3-7-19(25)8-4-17)22(16-24)18-5-9-20(26)10-6-18/h3-10,21-23H,11-16,27H2,1-2H3
InChIKeySFTYSIKUZZQXOM-UHFFFAOYSA-N
MW432.44 g/mol
LogP4.99
Rot. Bonds5

About 2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine

2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine (PubChem CID 44585620) has the molecular formula C24H31Cl2N3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine
PubChem CID44585620
Molecular FormulaC24H31Cl2N3
Molecular Weight432.44 g/mol
Exact Mass431.19
IUPAC Name2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine
SMILESCN(C)C12CCN(CCN)C(C(c3ccc(Cl)cc3)C1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C24H31Cl2N3/c1-28(2)24-11-13-29(14-12-27)23(21(15-24)17-3-7-19(25)8-4-17)22(16-24)18-5-9-20(26)10-6-18/h3-10,21-23H,11-16,27H2,1-2H3
InChIKeySFTYSIKUZZQXOM-UHFFFAOYSA-N
XLogP4.99
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine?
The IUPAC name of 2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine (CID 44585620) is 2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine.
What is the SMILES notation for 2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine?
The canonical SMILES for 2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine is CN(C)C12CCN(CCN)C(C(c3ccc(Cl)cc3)C1)C(c1ccc(Cl)cc1)C2.
What is the InChIKey of 2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine?
The InChIKey is SFTYSIKUZZQXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2N3/c1-28(2)24-11-13-29(14-12-27)23(21(15-24)17-3-7-19(25)8-4-17)22(16-24)18-5-9-20(26)10-6-18/h3-10,21-23H,11-16,27H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine?
2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine has a molecular weight of 432.44 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine is sourced from PubChem (CID 44585620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).