2-(2,4-dibromophenyl)ethanamine

C8H9Br2N — CID 73012416

IUPAC2-(2,4-dibromophenyl)ethanamine
SMILESNCCc1ccc(Br)cc1Br
InChIInChI=1S/C8H9Br2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
InChIKeyXNLOOXUPQJKGLB-UHFFFAOYSA-N
MW278.97 g/mol
LogP2.71
Rot. Bonds2

About 2-(2,4-dibromophenyl)ethanamine

2-(2,4-dibromophenyl)ethanamine (PubChem CID 73012416) has the molecular formula C8H9Br2N and a molecular weight of 278.97 g/mol. Its IUPAC name is 2-(2,4-dibromophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dibromophenyl)ethanamine
PubChem CID73012416
Molecular FormulaC8H9Br2N
Molecular Weight278.97 g/mol
Exact Mass276.91
IUPAC Name2-(2,4-dibromophenyl)ethanamine
SMILESNCCc1ccc(Br)cc1Br
InChIInChI=1S/C8H9Br2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
InChIKeyXNLOOXUPQJKGLB-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.97
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-1-[2-[2-(2,4-dibromophenyl)ethyldisulfanyl]ethyl]benzene
CID 87271431
3-(2,4-dibromophenyl)propanenitrile
CID 130849620
2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene
CID 151763622
(2,4-dibromophenyl)methanesulfonamide
CID 107944156
2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine
CID 170868655
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
2-(3-aminopropyl)-5-bromoaniline
CID 53434170
2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride
CID 170912586
2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine
CID 63819028
2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304
methyl 2-(2-aminoethyl)-5-bromobenzoate
CID 44828922
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenyl)ethanamine?
The IUPAC name of 2-(2,4-dibromophenyl)ethanamine (CID 73012416) is 2-(2,4-dibromophenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dibromophenyl)ethanamine?
The canonical SMILES for 2-(2,4-dibromophenyl)ethanamine is NCCc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenyl)ethanamine?
The InChIKey is XNLOOXUPQJKGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2.
What are the key properties of 2-(2,4-dibromophenyl)ethanamine?
2-(2,4-dibromophenyl)ethanamine has a molecular weight of 278.97 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenyl)ethanamine is sourced from PubChem (CID 73012416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).