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

C12H9Br2ClFNS — CID 43345053

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C12H9Br2ClFNS/c13-11-5-7(12(14)18-11)10(17)4-6-8(15)2-1-3-9(6)16/h1-3,5,10H,4,17H2
InChIKeySDSYOMVSDKCBRL-UHFFFAOYSA-N
MW413.54 g/mol
LogP5.31
Rot. Bonds3

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

2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine (PubChem CID 43345053) has the molecular formula C12H9Br2ClFNS and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
PubChem CID43345053
Molecular FormulaC12H9Br2ClFNS
Molecular Weight413.54 g/mol
Exact Mass410.85
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C12H9Br2ClFNS/c13-11-5-7(12(14)18-11)10(17)4-6-8(15)2-1-3-9(6)16/h1-3,5,10H,4,17H2
InChIKeySDSYOMVSDKCBRL-UHFFFAOYSA-N
XLogP5.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylethanamine
CID 43486905
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 43344854
1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 61079951
[1-(2,5-dibromothiophen-3-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 107970668
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 102827194
1-(2,5-dibromothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 107968086
1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine
CID 107969352
(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 81461521
2-(2-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 114022096
1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 55145225
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107096356

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine (CID 43345053) is 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine is NC(Cc1c(F)cccc1Cl)c1cc(Br)sc1Br.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine?
The InChIKey is SDSYOMVSDKCBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClFNS/c13-11-5-7(12(14)18-11)10(17)4-6-8(15)2-1-3-9(6)16/h1-3,5,10H,4,17H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine has a molecular weight of 413.54 g/mol, XLogP of 5.31, 3 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)ethanamine is sourced from PubChem (CID 43345053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).