2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine

C14H13Br2ClFNS — CID 43493191

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C14H13Br2ClFNS/c1-2-19-12(9-7-13(15)20-14(9)16)6-8-10(17)4-3-5-11(8)18/h3-5,7,12,19H,2,6H2,1H3
InChIKeyVGJLCSWAGLMXTQ-UHFFFAOYSA-N
MW441.59 g/mol
LogP5.96
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine

2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine (PubChem CID 43493191) has the molecular formula C14H13Br2ClFNS and a molecular weight of 441.59 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
PubChem CID43493191
Molecular FormulaC14H13Br2ClFNS
Molecular Weight441.59 g/mol
Exact Mass438.88
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C14H13Br2ClFNS/c1-2-19-12(9-7-13(15)20-14(9)16)6-8-10(17)4-3-5-11(8)18/h3-5,7,12,19H,2,6H2,1H3
InChIKeyVGJLCSWAGLMXTQ-UHFFFAOYSA-N
XLogP5.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.59
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 145983810
CID 145983810
CID 961442
CID 961442
CID 103042959
CID 103042959
CID 103042978
CID 103042978
CID 103043000
CID 103043000
CID 103043002
CID 103043002
CID 103043049
CID 103043049
CID 103043070
CID 103043070
CID 103043071
CID 103043071
CID 103043341
CID 103043341
CID 103043346
CID 103043346
CID 103043360
CID 103043360

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine (CID 43493191) is 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine is CCNC(Cc1c(F)cccc1Cl)c1cc(Br)sc1Br.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine?
The InChIKey is VGJLCSWAGLMXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2ClFNS/c1-2-19-12(9-7-13(15)20-14(9)16)6-8-10(17)4-3-5-11(8)18/h3-5,7,12,19H,2,6H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine?
2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine has a molecular weight of 441.59 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine is sourced from PubChem (CID 43493191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).