2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine

C15H13BrCl2FN — CID 115843490

IUPAC2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13BrCl2FN/c1-20-15(12-8-10(17)2-5-14(12)18)7-9-6-11(19)3-4-13(9)16/h2-6,8,15,20H,7H2,1H3
InChIKeyIOBWYIVGDJASBX-UHFFFAOYSA-N
MW377.08 g/mol
LogP5.40
Rot. Bonds4

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

2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine (PubChem CID 115843490) has the molecular formula C15H13BrCl2FN and a molecular weight of 377.08 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
PubChem CID115843490
Molecular FormulaC15H13BrCl2FN
Molecular Weight377.08 g/mol
Exact Mass374.96
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13BrCl2FN/c1-20-15(12-8-10(17)2-5-14(12)18)7-9-6-11(19)3-4-13(9)16/h2-6,8,15,20H,7H2,1H3
InChIKeyIOBWYIVGDJASBX-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.08
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 102619421
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714177
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-bromo-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 105297127
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810390
1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107995550
2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63420196
1-(2-bromo-3,4-difluorophenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 107539162
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107974495

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine (CID 115843490) is 2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1Br)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine?
The InChIKey is IOBWYIVGDJASBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FN/c1-20-15(12-8-10(17)2-5-14(12)18)7-9-6-11(19)3-4-13(9)16/h2-6,8,15,20H,7H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine?
2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine has a molecular weight of 377.08 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 115843490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).