2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine

C16H15BrCl2FN — CID 105020553

IUPAC2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15BrCl2FN/c1-2-21-15(12-7-6-11(18)9-13(12)19)8-10-4-3-5-14(20)16(10)17/h3-7,9,15,21H,2,8H2,1H3
InChIKeyJGHYEILOMDGWCW-UHFFFAOYSA-N
MW391.11 g/mol
LogP5.79
Rot. Bonds5

About 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine

2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine (PubChem CID 105020553) has the molecular formula C16H15BrCl2FN and a molecular weight of 391.11 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine
PubChem CID105020553
Molecular FormulaC16H15BrCl2FN
Molecular Weight391.11 g/mol
Exact Mass388.97
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15BrCl2FN/c1-2-21-15(12-7-6-11(18)9-13(12)19)8-10-4-3-5-14(20)16(10)17/h3-7,9,15,21H,2,8H2,1H3
InChIKeyJGHYEILOMDGWCW-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.11
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 115983747
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691
2-(2-chloro-3-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 105032455
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine
CID 105020396
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105020475
2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine
CID 63988403
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566
2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692784
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408
1-(2-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839964

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine (CID 105020553) is 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(F)c1Br)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine?
The InChIKey is JGHYEILOMDGWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2FN/c1-2-21-15(12-7-6-11(18)9-13(12)19)8-10-4-3-5-14(20)16(10)17/h3-7,9,15,21H,2,8H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine?
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine has a molecular weight of 391.11 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105020553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).