2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine

C15H12Br2ClF2N — CID 107538920

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H12Br2ClF2N/c1-21-13(6-8-2-3-9(16)7-11(8)18)10-4-5-12(19)15(20)14(10)17/h2-5,7,13,21H,6H2,1H3
InChIKeyCRPARRBAKYBBNG-UHFFFAOYSA-N
MW439.53 g/mol
LogP5.65
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine

2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine (PubChem CID 107538920) has the molecular formula C15H12Br2ClF2N and a molecular weight of 439.53 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine
PubChem CID107538920
Molecular FormulaC15H12Br2ClF2N
Molecular Weight439.53 g/mol
Exact Mass436.90
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H12Br2ClF2N/c1-21-13(6-8-2-3-9(16)7-11(8)18)10-4-5-12(19)15(20)14(10)17/h2-5,7,13,21H,6H2,1H3
InChIKeyCRPARRBAKYBBNG-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.53
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-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

1-(2-bromo-3,4-difluorophenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 107539162
1-(2-bromo-3,4-difluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 107539105
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
1-(2-bromo-3,4-difluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 107538975
1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 114906319
2-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 105037680
2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105037702
2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 115839656
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 107539107
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 107992572
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine (CID 107538920) is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1Cl)c1ccc(F)c(F)c1Br.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine?
The InChIKey is CRPARRBAKYBBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClF2N/c1-21-13(6-8-2-3-9(16)7-11(8)18)10-4-5-12(19)15(20)14(10)17/h2-5,7,13,21H,6H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine has a molecular weight of 439.53 g/mol, XLogP of 5.65, 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-bromo-3,4-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 107538920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).