1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine

C16H16Br2FN — CID 115787521

IUPAC1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C16H16Br2FN/c1-2-20-16(10-11-5-3-4-6-13(11)17)12-7-8-14(18)15(19)9-12/h3-9,16,20H,2,10H2,1H3
InChIKeyURCBOTWQHABKQQ-UHFFFAOYSA-N
MW401.12 g/mol
LogP5.24
Rot. Bonds5

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

1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine (PubChem CID 115787521) has the molecular formula C16H16Br2FN and a molecular weight of 401.12 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine
PubChem CID115787521
Molecular FormulaC16H16Br2FN
Molecular Weight401.12 g/mol
Exact Mass398.96
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C16H16Br2FN/c1-2-20-16(10-11-5-3-4-6-13(11)17)12-7-8-14(18)15(19)9-12/h3-9,16,20H,2,10H2,1H3
InChIKeyURCBOTWQHABKQQ-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-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786942
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032667
1-(4-bromo-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840302
1-(4-bromo-3-fluorophenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412447
1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008200
2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115787144
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420
2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine
CID 115787263
1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115848019
N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 60819665
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032327
1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine (CID 115787521) is 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine is CCNC(Cc1ccccc1Br)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine?
The InChIKey is URCBOTWQHABKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FN/c1-2-20-16(10-11-5-3-4-6-13(11)17)12-7-8-14(18)15(19)9-12/h3-9,16,20H,2,10H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine?
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine 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-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine is sourced from PubChem (CID 115787521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).