1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine

C14H14Br2FNS — CID 115848019

IUPAC1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H14Br2FNS/c1-2-18-14(7-11-6-10(15)8-19-11)9-3-4-12(16)13(17)5-9/h3-6,8,14,18H,2,7H2,1H3
InChIKeyHVVXEQFEYNMOEO-UHFFFAOYSA-N
MW407.15 g/mol
LogP5.31
Rot. Bonds5

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

1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine (PubChem CID 115848019) has the molecular formula C14H14Br2FNS and a molecular weight of 407.15 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
PubChem CID115848019
Molecular FormulaC14H14Br2FNS
Molecular Weight407.15 g/mol
Exact Mass404.92
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H14Br2FNS/c1-2-18-14(7-11-6-10(15)8-19-11)9-3-4-12(16)13(17)5-9/h3-6,8,14,18H,2,7H2,1H3
InChIKeyHVVXEQFEYNMOEO-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.15
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55186994
1-(4-bromo-3-fluorophenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412447
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787521
1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487
1-(4-bromo-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840302
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 82809918
1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008200
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032667
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115848003
[2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine
CID 107996956
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025701
2-(4-bromothiophen-2-yl)-1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115847988

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine (CID 115848019) is 1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1cc(Br)cs1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine?
The InChIKey is HVVXEQFEYNMOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2FNS/c1-2-18-14(7-11-6-10(15)8-19-11)9-3-4-12(16)13(17)5-9/h3-6,8,14,18H,2,7H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine?
1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine has a molecular weight of 407.15 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 115848019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).