1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine

C16H16Br2FN — CID 43489690

IUPAC1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H16Br2FN/c1-2-20-16(9-11-3-6-13(19)7-4-11)14-10-12(17)5-8-15(14)18/h3-8,10,16,20H,2,9H2,1H3
InChIKeyFITJEEZZKPMMHI-UHFFFAOYSA-N
MW401.12 g/mol
LogP5.24
Rot. Bonds5

About 1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine

1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine (PubChem CID 43489690) has the molecular formula C16H16Br2FN and a molecular weight of 401.12 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
PubChem CID43489690
Molecular FormulaC16H16Br2FN
Molecular Weight401.12 g/mol
Exact Mass398.96
IUPAC Name1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H16Br2FN/c1-2-20-16(9-11-3-6-13(19)7-4-11)14-10-12(17)5-8-15(14)18/h3-8,10,16,20H,2,9H2,1H3
InChIKeyFITJEEZZKPMMHI-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.12
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 63527393
[1-(2,5-dibromophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105283783
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63526766
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 105037839
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 106762284
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105015550
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43492237
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
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene
CID 63429264

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine (CID 43489690) is 1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine is CCNC(Cc1ccc(F)cc1)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The InChIKey is FITJEEZZKPMMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FN/c1-2-20-16(9-11-3-6-13(19)7-4-11)14-10-12(17)5-8-15(14)18/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine has a molecular weight of 401.12 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43489690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).