2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine

C15H13BrCl3N — CID 105037649

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13BrCl3N/c1-20-15(12-8-11(17)4-5-13(12)18)6-9-2-3-10(16)7-14(9)19/h2-5,7-8,15,20H,6H2,1H3
InChIKeyXDLQQCNPBIHIPC-UHFFFAOYSA-N
MW393.54 g/mol
LogP5.91
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine

2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine (PubChem CID 105037649) has the molecular formula C15H13BrCl3N and a molecular weight of 393.54 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
PubChem CID105037649
Molecular FormulaC15H13BrCl3N
Molecular Weight393.54 g/mol
Exact Mass390.93
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13BrCl3N/c1-20-15(12-8-11(17)4-5-13(12)18)6-9-2-3-10(16)7-14(9)19/h2-5,7-8,15,20H,6H2,1H3
InChIKeyXDLQQCNPBIHIPC-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.54
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105037702
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine
CID 107538920
1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 114906319
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983
2-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 105037680
2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 115843490
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115863002
2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105038060
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 107992572
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-methylethanamine
CID 102619427
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine (CID 105037649) is 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine?
The InChIKey is XDLQQCNPBIHIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl3N/c1-20-15(12-8-11(17)4-5-13(12)18)6-9-2-3-10(16)7-14(9)19/h2-5,7-8,15,20H,6H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine has a molecular weight of 393.54 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 105037649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).