1-(3-bromo-4-iodophenyl)ethanamine

C8H9BrIN — CID 126971704

IUPAC1-(3-bromo-4-iodophenyl)ethanamine
SMILESCC(N)c1ccc(I)c(Br)c1
InChIInChI=1S/C8H9BrIN/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5H,11H2,1H3
InChIKeyWGPQFZXRFODUOQ-UHFFFAOYSA-N
MW325.98 g/mol
LogP3.07
Rot. Bonds1

About 1-(3-bromo-4-iodophenyl)ethanamine

1-(3-bromo-4-iodophenyl)ethanamine (PubChem CID 126971704) has the molecular formula C8H9BrIN and a molecular weight of 325.98 g/mol. Its IUPAC name is 1-(3-bromo-4-iodophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-iodophenyl)ethanamine
PubChem CID126971704
Molecular FormulaC8H9BrIN
Molecular Weight325.98 g/mol
Exact Mass324.90
IUPAC Name1-(3-bromo-4-iodophenyl)ethanamine
SMILESCC(N)c1ccc(I)c(Br)c1
InChIInChI=1S/C8H9BrIN/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5H,11H2,1H3
InChIKeyWGPQFZXRFODUOQ-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.98
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
1-(3,4,5-tribromophenyl)ethanamine
CID 130135537
(1S)-1-(4-iodo-3-nitrophenyl)ethanamine
CID 130741027
4-[(1S)-1-aminoethyl]-2-bromo-N,N-diethylaniline
CID 63368146
4-(1-aminoethyl)-2-bromo-N,N-diethylaniline
CID 62909492
(1S)-1-(3-iodo-4-methoxyphenyl)ethanamine
CID 130647745
1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
CID 62908814
(1R)-1-(4-iodophenyl)ethanamine
CID 15930770
(1S)-1-(3-bromo-4-butan-2-ylsulfanylphenyl)ethanamine
CID 63370316
4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline
CID 62908844

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-iodophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-iodophenyl)ethanamine (CID 126971704) is 1-(3-bromo-4-iodophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-iodophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-iodophenyl)ethanamine is CC(N)c1ccc(I)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-iodophenyl)ethanamine?
The InChIKey is WGPQFZXRFODUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrIN/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5H,11H2,1H3.
What are the key properties of 1-(3-bromo-4-iodophenyl)ethanamine?
1-(3-bromo-4-iodophenyl)ethanamine has a molecular weight of 325.98 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-iodophenyl)ethanamine is sourced from PubChem (CID 126971704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).