2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine

C13H14BrNS — CID 62607190

IUPAC2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Br)s2)cc1
InChIInChI=1S/C13H14BrNS/c1-9-2-4-10(5-3-9)12(15)8-11-6-7-13(14)16-11/h2-7,12H,8,15H2,1H3
InChIKeyQICRTJJWPBJWPU-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.06
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine

2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine (PubChem CID 62607190) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
PubChem CID62607190
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Br)s2)cc1
InChIInChI=1S/C13H14BrNS/c1-9-2-4-10(5-3-9)12(15)8-11-6-7-13(14)16-11/h2-7,12H,8,15H2,1H3
InChIKeyQICRTJJWPBJWPU-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(4-chlorophenyl)ethanamine
CID 62607913
2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105134853
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62600711
1-(4-bromo-3-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841293
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 55180820
3-(5-bromothiophen-2-yl)-2-(4-methylphenyl)-N-propylpropan-1-amine
CID 79436176
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877921
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530366
2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol
CID 66060745
2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115841290

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine (CID 62607190) is 2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine is Cc1ccc(C(N)Cc2ccc(Br)s2)cc1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine?
The InChIKey is QICRTJJWPBJWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-9-2-4-10(5-3-9)12(15)8-11-6-7-13(14)16-11/h2-7,12H,8,15H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine has a molecular weight of 296.23 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 62607190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).