1-(3,5-dibromophenyl)ethanamine

C8H9Br2N — CID 23147757

IUPAC1-(3,5-dibromophenyl)ethanamine
SMILESCC(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C8H9Br2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3
InChIKeyDWZJEVRHNGHMTL-UHFFFAOYSA-N
MW278.98 g/mol
LogP3.23
Rot. Bonds1

About 1-(3,5-dibromophenyl)ethanamine

1-(3,5-dibromophenyl)ethanamine (PubChem CID 23147757) has the molecular formula C8H9Br2N and a molecular weight of 278.98 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)ethanamine
PubChem CID23147757
Molecular FormulaC8H9Br2N
Molecular Weight278.98 g/mol
Exact Mass276.91
IUPAC Name1-(3,5-dibromophenyl)ethanamine
SMILESCC(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C8H9Br2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3
InChIKeyDWZJEVRHNGHMTL-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.98
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride
CID 137347003
(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine
CID 130632981
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
(3,5-dibromophenyl)methanediamine
CID 141415673
1-(3,4,5-tribromophenyl)ethanamine
CID 130135537
1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride
CID 138110830
(1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol
CID 171270900
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine
CID 171791268
(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171213951
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)ethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)ethanamine (CID 23147757) is 1-(3,5-dibromophenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)ethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)ethanamine is CC(N)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)ethanamine?
The InChIKey is DWZJEVRHNGHMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3.
What are the key properties of 1-(3,5-dibromophenyl)ethanamine?
1-(3,5-dibromophenyl)ethanamine has a molecular weight of 278.98 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)ethanamine is sourced from PubChem (CID 23147757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).