2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine

C13H13BrClNS — CID 115847800

IUPAC2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2cc(Br)cs2)c1Cl
InChIInChI=1S/C13H13BrClNS/c1-8-3-2-4-11(13(8)15)12(16)6-10-5-9(14)7-17-10/h2-5,7,12H,6,16H2,1H3
InChIKeyGCMOCOGHNAGLDG-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.71
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine

2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine (PubChem CID 115847800) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine
PubChem CID115847800
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2cc(Br)cs2)c1Cl
InChIInChI=1S/C13H13BrClNS/c1-8-3-2-4-11(13(8)15)12(16)6-10-5-9(14)7-17-10/h2-5,7,12H,6,16H2,1H3
InChIKeyGCMOCOGHNAGLDG-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

1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 107984904
2-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279645
2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789820
2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105139215
1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106866364
2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115847883
2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115847633
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115843175
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 115847619
[1-(3-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105299354
N-[1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 107984903
2-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62599879

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine (CID 115847800) is 2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine is Cc1cccc(C(N)Cc2cc(Br)cs2)c1Cl.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine?
The InChIKey is GCMOCOGHNAGLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-8-3-2-4-11(13(8)15)12(16)6-10-5-9(14)7-17-10/h2-5,7,12H,6,16H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine?
2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)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 2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine is sourced from PubChem (CID 115847800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).