2-(2-bromo-4-chlorophenyl)ethanamine

C8H9BrClN — CID 58244638

IUPAC2-(2-bromo-4-chlorophenyl)ethanamine
SMILESNCCc1ccc(Cl)cc1Br
InChIInChI=1S/C8H9BrClN/c9-8-5-7(10)2-1-6(8)3-4-11/h1-2,5H,3-4,11H2
InChIKeyNAYSLUFYEQVVJI-UHFFFAOYSA-N
MW234.52 g/mol
LogP2.60
Rot. Bonds2

About 2-(2-bromo-4-chlorophenyl)ethanamine

2-(2-bromo-4-chlorophenyl)ethanamine (PubChem CID 58244638) has the molecular formula C8H9BrClN and a molecular weight of 234.52 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)ethanamine
PubChem CID58244638
Molecular FormulaC8H9BrClN
Molecular Weight234.52 g/mol
Exact Mass232.96
IUPAC Name2-(2-bromo-4-chlorophenyl)ethanamine
SMILESNCCc1ccc(Cl)cc1Br
InChIInChI=1S/C8H9BrClN/c9-8-5-7(10)2-1-6(8)3-4-11/h1-2,5H,3-4,11H2
InChIKeyNAYSLUFYEQVVJI-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.52
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromophenethylamine
CID 2734091
2-(4-Chlorophenyl)ethylamine
CID 67430
2-(2-Bromophenyl)ethan-1-amine hydrochloride
CID 66717501
2-(2-Bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 71756730
(1R)-1-(2-bromo-5-chlorophenyl)propan-1-amine hydrochloride
CID 121362480
(2-Bromo-4-chlorophenyl)methanamine hydrochloride
CID 127264608
2-(4-Bromo-2-chlorophenyl)-2,2-difluoroethan-1-amine hydrochloride
CID 134690956
(R)-1-(4-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 155288058
(1r)-1-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 121362439
2-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 66160453
2-(2-Bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 132354128
(1R)-1-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 139022360

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)ethanamine (CID 58244638) is 2-(2-bromo-4-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)ethanamine is NCCc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)ethanamine?
The InChIKey is NAYSLUFYEQVVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN/c9-8-5-7(10)2-1-6(8)3-4-11/h1-2,5H,3-4,11H2.
What are the key properties of 2-(2-bromo-4-chlorophenyl)ethanamine?
2-(2-bromo-4-chlorophenyl)ethanamine has a molecular weight of 234.52 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenyl)ethanamine is sourced from PubChem (CID 58244638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).