1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine

C12H9Br2Cl2NS — CID 107312305

IUPAC1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1Cl)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H9Br2Cl2NS/c13-7-5-10(18-12(7)14)9(17)4-6-2-1-3-8(15)11(6)16/h1-3,5,9H,4,17H2
InChIKeyLTECZYURORPQAB-UHFFFAOYSA-N
MW429.99 g/mol
LogP5.82
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine

1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine (PubChem CID 107312305) has the molecular formula C12H9Br2Cl2NS and a molecular weight of 429.99 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine
PubChem CID107312305
Molecular FormulaC12H9Br2Cl2NS
Molecular Weight429.99 g/mol
Exact Mass426.82
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1Cl)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H9Br2Cl2NS/c13-7-5-10(18-12(7)14)9(17)4-6-2-1-3-8(15)11(6)16/h1-3,5,9H,4,17H2
InChIKeyLTECZYURORPQAB-UHFFFAOYSA-N
XLogP5.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.99
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine
CID 80536710
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine
CID 102827153
1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 80533040
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine
CID 80530725
1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107308364
2-(4-bromo-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115844464
[2-(3-chloro-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]hydrazine
CID 102868609
2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 80532924
1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830504
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 102827194
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine (CID 107312305) is 1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine is NC(Cc1cccc(Cl)c1Cl)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine?
The InChIKey is LTECZYURORPQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2Cl2NS/c13-7-5-10(18-12(7)14)9(17)4-6-2-1-3-8(15)11(6)16/h1-3,5,9H,4,17H2.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine?
1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine has a molecular weight of 429.99 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine is sourced from PubChem (CID 107312305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).