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

C13H13Br2NS — CID 107984904

IUPAC1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine
SMILESCc1cccc(C(N)Cc2cc(Br)cs2)c1Br
InChIInChI=1S/C13H13Br2NS/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
InChIKeyZDXDPHGPICFLPG-UHFFFAOYSA-N
MW375.13 g/mol
LogP4.82
Rot. Bonds3

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

1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine (PubChem CID 107984904) has the molecular formula C13H13Br2NS and a molecular weight of 375.13 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine
PubChem CID107984904
Molecular FormulaC13H13Br2NS
Molecular Weight375.13 g/mol
Exact Mass372.91
IUPAC Name1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine
SMILESCc1cccc(C(N)Cc2cc(Br)cs2)c1Br
InChIInChI=1S/C13H13Br2NS/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
InChIKeyZDXDPHGPICFLPG-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115847800
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-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
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
1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 107985336
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 115847619
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787
2-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62599879
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 107982860

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine (CID 107984904) is 1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine is Cc1cccc(C(N)Cc2cc(Br)cs2)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine?
The InChIKey is ZDXDPHGPICFLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NS/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 1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine?
1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine has a molecular weight of 375.13 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 107984904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).