N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine

C16H21BrN2S — CID 103917395

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCc2ccc(Br)s2)c(C)n1
InChIInChI=1S/C16H21BrN2S/c1-10-9-11(2)19-13(4)16(10)12(3)18-8-7-14-5-6-15(17)20-14/h5-6,9,12,18H,7-8H2,1-4H3
InChIKeyJOGXCQHYCINMPX-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.72
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine

N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine (PubChem CID 103917395) has the molecular formula C16H21BrN2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
PubChem CID103917395
Molecular FormulaC16H21BrN2S
Molecular Weight353.33 g/mol
Exact Mass352.06
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCc2ccc(Br)s2)c(C)n1
InChIInChI=1S/C16H21BrN2S/c1-10-9-11(2)19-13(4)16(10)12(3)18-8-7-14-5-6-15(17)20-14/h5-6,9,12,18H,7-8H2,1-4H3
InChIKeyJOGXCQHYCINMPX-UHFFFAOYSA-N
XLogP4.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106043570
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
1-(1,3-benzothiazol-2-yl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 103778873
N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 115712475
1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 106043231
N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 113343837
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879121
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
N-(furan-3-ylmethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 115903409
5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine
CID 115516808
3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile
CID 106047119
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 103913849

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine (CID 103917395) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine is Cc1cc(C)c(C(C)NCCc2ccc(Br)s2)c(C)n1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
The InChIKey is JOGXCQHYCINMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2S/c1-10-9-11(2)19-13(4)16(10)12(3)18-8-7-14-5-6-15(17)20-14/h5-6,9,12,18H,7-8H2,1-4H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine has a molecular weight of 353.33 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 103917395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).