2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide

C2H7Br2N — CID 76974623

IUPAC2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide
SMILESBr.[2H]C([2H])(N)C([2H])([2H])Br
InChIInChI=1S/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H/i1D2,2D2;
InChIKeyWJAXXWSZNSFVNG-PBCJVBLFSA-N
MW208.92 g/mol
LogP0.92
Rot. Bonds1

About 2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide

2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide (PubChem CID 76974623) has the molecular formula C2H7Br2N and a molecular weight of 208.92 g/mol. Its IUPAC name is 2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide.

Molecular Properties

Compound Name2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide
PubChem CID76974623
Molecular FormulaC2H7Br2N
Molecular Weight208.92 g/mol
Exact Mass206.92
IUPAC Name2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide
SMILESBr.[2H]C([2H])(N)C([2H])([2H])Br
InChIInChI=1S/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H/i1D2,2D2;
InChIKeyWJAXXWSZNSFVNG-PBCJVBLFSA-N
XLogP0.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.92
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,3-dibromo-1,1,3,3-tetradeuteriopropane
CID 54387418
2-bromoethanamine;hydrobromide
CID 2774217
2-amino-2,2-dideuterioethanol
CID 13000292
1-bromo-1,1,2,2-tetradeuteriopropane
CID 71309549
1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane
CID 131869331
bromomethanamine;hydron
CID 174955296
bromomethanamine;hydrochloride
CID 141040289
2-bromopropane-1,3-diamine;dihydrobromide
CID 517709
1,2-dibromo-1-deuterioethane
CID 54482118
1-bromo-1,1,2,3,3,3-hexadeuteriopropane
CID 23264209
1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride
CID 90472115
N'-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine
CID 131708610

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide?
The IUPAC name of 2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide (CID 76974623) is 2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide.
What is the SMILES notation for 2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide?
The canonical SMILES for 2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide is Br.[2H]C([2H])(N)C([2H])([2H])Br.
What is the InChIKey of 2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide?
The InChIKey is WJAXXWSZNSFVNG-PBCJVBLFSA-N. The full InChI is InChI=1S/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H/i1D2,2D2;.
What are the key properties of 2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide?
2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide has a molecular weight of 208.92 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide is sourced from PubChem (CID 76974623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).