2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine

C16H15Br2ClFN — CID 105037839

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C16H15Br2ClFN/c1-2-21-16(13-9-12(20)5-6-14(13)18)7-10-3-4-11(17)8-15(10)19/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyAEFISWLLOOKQKI-UHFFFAOYSA-N
MW435.56 g/mol
LogP5.90
Rot. Bonds5

About 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine

2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine (PubChem CID 105037839) has the molecular formula C16H15Br2ClFN and a molecular weight of 435.56 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
PubChem CID105037839
Molecular FormulaC16H15Br2ClFN
Molecular Weight435.56 g/mol
Exact Mass432.92
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C16H15Br2ClFN/c1-2-21-16(13-9-12(20)5-6-14(13)18)7-10-3-4-11(17)8-15(10)19/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyAEFISWLLOOKQKI-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 79723401
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107312331
1-(2-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839964
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105037902
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181704
2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974364
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876
1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863189

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine (CID 105037839) is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Br)cc1Cl)c1cc(F)ccc1Br.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine?
The InChIKey is AEFISWLLOOKQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2ClFN/c1-2-21-16(13-9-12(20)5-6-14(13)18)7-10-3-4-11(17)8-15(10)19/h3-6,8-9,16,21H,2,7H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine has a molecular weight of 435.56 g/mol, XLogP of 5.90, 5 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-5-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105037839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).