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

C8H9BrClN — CID 68561444

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

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

2-(3-bromo-4-chlorophenyl)ethanamine (PubChem CID 68561444) has the molecular formula C8H9BrClN and a molecular weight of 234.52 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)ethanamine
PubChem CID68561444
Molecular FormulaC8H9BrClN
Molecular Weight234.52 g/mol
Exact Mass232.96
IUPAC Name2-(3-bromo-4-chlorophenyl)ethanamine
SMILESNCCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H9BrClN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3-4,11H2
InChIKeySHSXLYOMYKKCGM-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-bromo-4-butyl-1-chlorobenzene
CID 50997862
2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107885526
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
4-(2-aminoethyl)-2-chloroaniline
CID 18621974
2-(4-bromo-3-fluorophenyl)ethanamine
CID 66915310
2-(3-bromo-4-chlorophenyl)acetaldehyde
CID 83240739
2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
CID 107739438
2-(3-bromo-4-ethenylphenyl)ethanamine
CID 130050945
4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-amine
CID 83230541
2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine
CID 115045738

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)ethanamine (CID 68561444) is 2-(3-bromo-4-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)ethanamine is NCCc1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)ethanamine?
The InChIKey is SHSXLYOMYKKCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3-4,11H2.
What are the key properties of 2-(3-bromo-4-chlorophenyl)ethanamine?
2-(3-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-(3-bromo-4-chlorophenyl)ethanamine is sourced from PubChem (CID 68561444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).