1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine

C13H13BrClNS — CID 81275271

IUPAC1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cc(Cl)ccc2Br)s1
InChIInChI=1S/C13H13BrClNS/c1-8(16-2)12-5-6-13(17-12)10-7-9(15)3-4-11(10)14/h3-8,16H,1-2H3
InChIKeyQDOVSTSULCBFQB-UHFFFAOYSA-N
MW330.68 g/mol
LogP5.11
Rot. Bonds3

About 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine

1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine (PubChem CID 81275271) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine
PubChem CID81275271
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cc(Cl)ccc2Br)s1
InChIInChI=1S/C13H13BrClNS/c1-8(16-2)12-5-6-13(17-12)10-7-9(15)3-4-11(10)14/h3-8,16H,1-2H3
InChIKeyQDOVSTSULCBFQB-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.68
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 81275428
N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-2-yl]ethanamine
CID 62810581
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81280056
1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N-methylethanamine
CID 65437979
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine
CID 81274603
1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine
CID 107530688
1-[5-(2-chloro-4-iodophenyl)thiophen-2-yl]-N-methylethanamine
CID 107607471
1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 63400441
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
1-[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-N-methylethanamine
CID 81287781
1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine
CID 61470004
2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 81264190

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine (CID 81275271) is 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine is CNC(C)c1ccc(-c2cc(Cl)ccc2Br)s1.
What is the InChIKey of 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine?
The InChIKey is QDOVSTSULCBFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-8(16-2)12-5-6-13(17-12)10-7-9(15)3-4-11(10)14/h3-8,16H,1-2H3.
What are the key properties of 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine?
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine has a molecular weight of 330.68 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine is sourced from PubChem (CID 81275271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).