2-(4-bromo-3-chlorophenyl)ethanamine

C8H9BrClN — CID 83715548

IUPAC2-(4-bromo-3-chlorophenyl)ethanamine
SMILESNCCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H9BrClN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
InChIKeyPZUNBCNQSGQENT-UHFFFAOYSA-N
MW234.52 g/mol
LogP2.60
Rot. Bonds2

About 2-(4-bromo-3-chlorophenyl)ethanamine

2-(4-bromo-3-chlorophenyl)ethanamine (PubChem CID 83715548) has the molecular formula C8H9BrClN and a molecular weight of 234.52 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)ethanamine
PubChem CID83715548
Molecular FormulaC8H9BrClN
Molecular Weight234.52 g/mol
Exact Mass232.96
IUPAC Name2-(4-bromo-3-chlorophenyl)ethanamine
SMILESNCCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H9BrClN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
InChIKeyPZUNBCNQSGQENT-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)ethanamine (CID 83715548) is 2-(4-bromo-3-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)ethanamine is NCCc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)ethanamine?
The InChIKey is PZUNBCNQSGQENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2.
What are the key properties of 2-(4-bromo-3-chlorophenyl)ethanamine?
2-(4-bromo-3-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-(4-bromo-3-chlorophenyl)ethanamine is sourced from PubChem (CID 83715548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).