1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine

C16H15BrClF2N — CID 115809495

IUPAC1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H15BrClF2N/c1-2-21-16(10-3-5-13(17)14(18)8-10)9-11-7-12(19)4-6-15(11)20/h3-8,16,21H,2,9H2,1H3
InChIKeyOQAFHXNUEHIRGU-UHFFFAOYSA-N
MW374.66 g/mol
LogP5.27
Rot. Bonds5

About 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine

1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine (PubChem CID 115809495) has the molecular formula C16H15BrClF2N and a molecular weight of 374.66 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
PubChem CID115809495
Molecular FormulaC16H15BrClF2N
Molecular Weight374.66 g/mol
Exact Mass373.00
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H15BrClF2N/c1-2-21-16(10-3-5-13(17)14(18)8-10)9-11-7-12(19)4-6-15(11)20/h3-8,16,21H,2,9H2,1H3
InChIKeyOQAFHXNUEHIRGU-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.66
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810390
2-(2-bromo-5-fluorophenyl)-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 81494920
[1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)ethyl]hydrazine
CID 105288913
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870
1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103053128
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032327
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 103052923
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115843296
1-(4-bromo-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840302
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 81293136

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine (CID 115809495) is 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cc(F)ccc1F)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine?
The InChIKey is OQAFHXNUEHIRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClF2N/c1-2-21-16(10-3-5-13(17)14(18)8-10)9-11-7-12(19)4-6-15(11)20/h3-8,16,21H,2,9H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine?
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine has a molecular weight of 374.66 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 115809495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).