2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine

C15H13Br2ClFN — CID 107947073

IUPAC2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2ClFN/c1-20-15(12-4-2-10(16)8-13(12)17)7-9-6-11(18)3-5-14(9)19/h2-6,8,15,20H,7H2,1H3
InChIKeyJKPPHHXCXRPMPD-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.51
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine

2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine (PubChem CID 107947073) has the molecular formula C15H13Br2ClFN and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
PubChem CID107947073
Molecular FormulaC15H13Br2ClFN
Molecular Weight421.54 g/mol
Exact Mass418.91
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2ClFN/c1-20-15(12-4-2-10(16)8-13(12)17)7-9-6-11(18)3-5-14(9)19/h2-6,8,15,20H,7H2,1H3
InChIKeyJKPPHHXCXRPMPD-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-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-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832
1-(2-bromo-3,4-difluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 107539105
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 115839656
1-(2-bromo-4-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 107992250
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 107992572
1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107995550
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107947077
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153
1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 106858959
1-(2,4-dibromophenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107947209
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115863002

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine (CID 107947073) is 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1F)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The InChIKey is JKPPHHXCXRPMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClFN/c1-20-15(12-4-2-10(16)8-13(12)17)7-9-6-11(18)3-5-14(9)19/h2-6,8,15,20H,7H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine?
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine has a molecular weight of 421.54 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine is sourced from PubChem (CID 107947073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).