1-(3,4,5-tribromophenyl)ethanamine

C8H8Br3N — CID 130135537

IUPAC1-(3,4,5-tribromophenyl)ethanamine
SMILESCC(N)c1cc(Br)c(Br)c(Br)c1
InChIInChI=1S/C8H8Br3N/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-4H,12H2,1H3
InChIKeyCQRUSGNKTHCTQV-UHFFFAOYSA-N
MW357.87 g/mol
LogP3.99
Rot. Bonds1

About 1-(3,4,5-tribromophenyl)ethanamine

1-(3,4,5-tribromophenyl)ethanamine (PubChem CID 130135537) has the molecular formula C8H8Br3N and a molecular weight of 357.87 g/mol. Its IUPAC name is 1-(3,4,5-tribromophenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4,5-tribromophenyl)ethanamine
PubChem CID130135537
Molecular FormulaC8H8Br3N
Molecular Weight357.87 g/mol
Exact Mass354.82
IUPAC Name1-(3,4,5-tribromophenyl)ethanamine
SMILESCC(N)c1cc(Br)c(Br)c(Br)c1
InChIInChI=1S/C8H8Br3N/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-4H,12H2,1H3
InChIKeyCQRUSGNKTHCTQV-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
1-(3,5-dibromophenyl)ethanamine
CID 23147757
1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride
CID 137347003
1-[3-bromo-4,5-bis(methylsulfanyl)phenyl]ethanamine
CID 117471831
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
1-(3-bromo-4-iodophenyl)ethanamine
CID 126971704
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine
CID 117367070
5-[(1R)-1-aminoethyl]-3-bromopyridin-2-amine
CID 130766270
1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine
CID 129130079
(1R)-1-(5-bromothiophen-3-yl)ethanamine;hydrochloride
CID 154577460
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-tribromophenyl)ethanamine?
The IUPAC name of 1-(3,4,5-tribromophenyl)ethanamine (CID 130135537) is 1-(3,4,5-tribromophenyl)ethanamine.
What is the SMILES notation for 1-(3,4,5-tribromophenyl)ethanamine?
The canonical SMILES for 1-(3,4,5-tribromophenyl)ethanamine is CC(N)c1cc(Br)c(Br)c(Br)c1.
What is the InChIKey of 1-(3,4,5-tribromophenyl)ethanamine?
The InChIKey is CQRUSGNKTHCTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br3N/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-4H,12H2,1H3.
What are the key properties of 1-(3,4,5-tribromophenyl)ethanamine?
1-(3,4,5-tribromophenyl)ethanamine has a molecular weight of 357.87 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-tribromophenyl)ethanamine is sourced from PubChem (CID 130135537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).