1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine

C13H13BrClNS — CID 102827153

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine
SMILESCc1sc(C(N)Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C13H13BrClNS/c1-8-10(14)7-13(17-8)12(16)6-9-4-2-3-5-11(9)15/h2-5,7,12H,6,16H2,1H3
InChIKeyIWXNTDFEKRFIQO-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.71
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine

1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine (PubChem CID 102827153) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine
PubChem CID102827153
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine
SMILESCc1sc(C(N)Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C13H13BrClNS/c1-8-10(14)7-13(17-8)12(16)6-9-4-2-3-5-11(9)15/h2-5,7,12H,6,16H2,1H3
InChIKeyIWXNTDFEKRFIQO-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.68
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 65239408
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
CID 102827158
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 102827194
1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312305
2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745793
5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene
CID 65238571
2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 43110651
2-(2-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43103860
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814
1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine
CID 102827056
1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine
CID 80536710
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 79990281

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine (CID 102827153) is 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine is Cc1sc(C(N)Cc2ccccc2Cl)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine?
The InChIKey is IWXNTDFEKRFIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-8-10(14)7-13(17-8)12(16)6-9-4-2-3-5-11(9)15/h2-5,7,12H,6,16H2,1H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine?
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine has a molecular weight of 330.68 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 102827153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).