2-bromoethanamine;hydrobromide

C2H7Br2N — CID 2774217

IUPAC2-bromoethanamine;hydrobromide
SMILESBr.NCCBr
InChIInChI=1S/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H
InChIKeyWJAXXWSZNSFVNG-UHFFFAOYSA-N
MW204.89 g/mol
LogP0.92
Rot. Bonds1

About 2-bromoethanamine;hydrobromide

2-bromoethanamine;hydrobromide (PubChem CID 2774217) has the molecular formula C2H7Br2N and a molecular weight of 204.89 g/mol. Its IUPAC name is 2-bromoethanamine;hydrobromide.

Molecular Properties

Compound Name2-bromoethanamine;hydrobromide
PubChem CID2774217
Molecular FormulaC2H7Br2N
Molecular Weight204.89 g/mol
Exact Mass202.89
IUPAC Name2-bromoethanamine;hydrobromide
SMILESBr.NCCBr
InChIInChI=1S/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H
InChIKeyWJAXXWSZNSFVNG-UHFFFAOYSA-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 ≤ 500204.89
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

2-bromoethanamine;hypobromous acid
CID 159414282
3-bromopropan-1-amine;hydrochloride
CID 12860765
3-bromopropan-1-amine;hydron
CID 174641241
6-bromohexan-1-amine
CID 3650626
N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide
CID 170557636
2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide
CID 164887540
bromomethanamine;hydron
CID 174955296
bromomethanamine;hydrochloride
CID 141040289
2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide
CID 76974623
N'-(2-bromoethyl)ethane-1,2-diamine
CID 11788500
1,2-dibromoethane
CID 7839
ethane;ethane-1,2-diamine;dihydrochloride
CID 168908211

Frequently Asked Questions

What is the IUPAC name of 2-bromoethanamine;hydrobromide?
The IUPAC name of 2-bromoethanamine;hydrobromide (CID 2774217) is 2-bromoethanamine;hydrobromide.
What is the SMILES notation for 2-bromoethanamine;hydrobromide?
The canonical SMILES for 2-bromoethanamine;hydrobromide is Br.NCCBr.
What is the InChIKey of 2-bromoethanamine;hydrobromide?
The InChIKey is WJAXXWSZNSFVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H.
What are the key properties of 2-bromoethanamine;hydrobromide?
2-bromoethanamine;hydrobromide has a molecular weight of 204.89 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-bromoethanamine;hydrobromide is sourced from PubChem (CID 2774217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).