2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine

C15H15BrN2S — CID 83987534

IUPAC2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine
SMILESCc1ccc2[nH]cc(C(CN)c3ccc(Br)s3)c2c1
InChIInChI=1S/C15H15BrN2S/c1-9-2-3-13-10(6-9)12(8-18-13)11(7-17)14-4-5-15(16)19-14/h2-6,8,11,18H,7,17H2,1H3
InChIKeyQOAOAVTUEMSTNB-UHFFFAOYSA-N
MW335.27 g/mol
LogP4.39
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine

2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine (PubChem CID 83987534) has the molecular formula C15H15BrN2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine
PubChem CID83987534
Molecular FormulaC15H15BrN2S
Molecular Weight335.27 g/mol
Exact Mass334.01
IUPAC Name2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine
SMILESCc1ccc2[nH]cc(C(CN)c3ccc(Br)s3)c2c1
InChIInChI=1S/C15H15BrN2S/c1-9-2-3-13-10(6-9)12(8-18-13)11(7-17)14-4-5-15(16)19-14/h2-6,8,11,18H,7,17H2,1H3
InChIKeyQOAOAVTUEMSTNB-UHFFFAOYSA-N
XLogP4.39
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97135081
(4R)-4-(5-bromothiophen-2-yl)-4-(1H-indol-3-yl)butan-2-one
CID 122209106
(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 54897874
4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline
CID 83976395
ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 78166336
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine
CID 82277713
3,5-dimethyl-1H-indole
CID 142943492
4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol
CID 83987266
2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine
CID 83987557
(2S)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 21122035
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrate
CID 18530245

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine (CID 83987534) is 2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine is Cc1ccc2[nH]cc(C(CN)c3ccc(Br)s3)c2c1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is QOAOAVTUEMSTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2S/c1-9-2-3-13-10(6-9)12(8-18-13)11(7-17)14-4-5-15(16)19-14/h2-6,8,11,18H,7,17H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine?
2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 335.27 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(5-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 83987534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).