1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine

C14H12BrCl2N — CID 55186959

IUPAC1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESCC(N)(c1ccc(Br)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12BrCl2N/c1-14(18,9-2-4-10(15)5-3-9)12-8-11(16)6-7-13(12)17/h2-8H,18H2,1H3
InChIKeyWDXLQAGFIMAADI-UHFFFAOYSA-N
MW345.07 g/mol
LogP4.98
Rot. Bonds2

About 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine

1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine (PubChem CID 55186959) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
PubChem CID55186959
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESCC(N)(c1ccc(Br)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12BrCl2N/c1-14(18,9-2-4-10(15)5-3-9)12-8-11(16)6-7-13(12)17/h2-8H,18H2,1H3
InChIKeyWDXLQAGFIMAADI-UHFFFAOYSA-N
XLogP4.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.07
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine (CID 55186959) is 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine is CC(N)(c1ccc(Br)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine?
The InChIKey is WDXLQAGFIMAADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-14(18,9-2-4-10(15)5-3-9)12-8-11(16)6-7-13(12)17/h2-8H,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine?
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine has a molecular weight of 345.07 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 55186959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).