(2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

C20H22Br2N2 — CID 14986151

IUPAC(2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H22Br2N2/c21-16-5-1-13(2-6-16)18(14-3-7-17(22)8-4-14)20-19(23)15-9-11-24(20)12-10-15/h1-8,15,18-20H,9-12,23H2/t19-,20-/m1/s1
InChIKeySBWGGOCGTRGEKS-WOJBJXKFSA-N
MW450.22 g/mol
LogP4.76
Rot. Bonds3

About (2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

(2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 14986151) has the molecular formula C20H22Br2N2 and a molecular weight of 450.22 g/mol. Its IUPAC name is (2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID14986151
Molecular FormulaC20H22Br2N2
Molecular Weight450.22 g/mol
Exact Mass448.01
IUPAC Name(2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H22Br2N2/c21-16-5-1-13(2-6-16)18(14-3-7-17(22)8-4-14)20-19(23)15-9-11-24(20)12-10-15/h1-8,15,18-20H,9-12,23H2/t19-,20-/m1/s1
InChIKeySBWGGOCGTRGEKS-WOJBJXKFSA-N
XLogP4.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.22
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 14986151) is (2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is N[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of (2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is SBWGGOCGTRGEKS-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H22Br2N2/c21-16-5-1-13(2-6-16)18(14-3-7-17(22)8-4-14)20-19(23)15-9-11-24(20)12-10-15/h1-8,15,18-20H,9-12,23H2/t19-,20-/m1/s1.
What are the key properties of (2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
(2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 450.22 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 14986151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).