1-(2-bromo-6-chlorophenyl)ethanamine

C8H9BrClN — CID 84698107

IUPAC1-(2-bromo-6-chlorophenyl)ethanamine
SMILESCC(N)c1c(Cl)cccc1Br
InChIInChI=1S/C8H9BrClN/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3
InChIKeyRSQBBPQGUYFSIM-UHFFFAOYSA-N
MW234.52 g/mol
LogP3.12
Rot. Bonds1

About 1-(2-bromo-6-chlorophenyl)ethanamine

1-(2-bromo-6-chlorophenyl)ethanamine (PubChem CID 84698107) has the molecular formula C8H9BrClN and a molecular weight of 234.52 g/mol. Its IUPAC name is 1-(2-bromo-6-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-chlorophenyl)ethanamine
PubChem CID84698107
Molecular FormulaC8H9BrClN
Molecular Weight234.52 g/mol
Exact Mass232.96
IUPAC Name1-(2-bromo-6-chlorophenyl)ethanamine
SMILESCC(N)c1c(Cl)cccc1Br
InChIInChI=1S/C8H9BrClN/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3
InChIKeyRSQBBPQGUYFSIM-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-Chlorophenyl)ethanamine
CID 299767
(alphaS)-2-Chloro-alpha-methylbenzenemethanamine
CID 1551199
1-(2-Bromophenyl)ethan-1-amine
CID 3825290
((4-Bromo-2-chlorophenyl)methyl)(methyl)amine
CID 22386925
(4-Bromo-2-chlorophenyl)methanamine
CID 25258775
(1R)-1-(2-chlorophenyl)ethan-1-amine hydrochloride
CID 44828517
(1S)-1-(2-chlorophenyl)ethan-1-amine hydrochloride
CID 45072355
1-(4-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 53407889
(5-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 67437601
(1R)-1-(2-bromophenyl)ethan-1-amine hydrochloride
CID 71755832
(1S)-1-(2-bromophenyl)ethan-1-amine hydrochloride
CID 71755834
2-(2-Bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 71756730

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chlorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-6-chlorophenyl)ethanamine (CID 84698107) is 1-(2-bromo-6-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-6-chlorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-6-chlorophenyl)ethanamine is CC(N)c1c(Cl)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-chlorophenyl)ethanamine?
The InChIKey is RSQBBPQGUYFSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3.
What are the key properties of 1-(2-bromo-6-chlorophenyl)ethanamine?
1-(2-bromo-6-chlorophenyl)ethanamine has a molecular weight of 234.52 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chlorophenyl)ethanamine is sourced from PubChem (CID 84698107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).