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

C17H22BrNS — CID 106043570

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCc2ccc(Br)s2)c(C)c1
InChIInChI=1S/C17H22BrNS/c1-11-9-12(2)17(13(3)10-11)14(4)19-8-7-15-5-6-16(18)20-15/h5-6,9-10,14,19H,7-8H2,1-4H3
InChIKeyJFPPWXUQAQJQAU-UHFFFAOYSA-N
MW352.34 g/mol
LogP5.33
Rot. Bonds5

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

N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 106043570) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID106043570
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCc2ccc(Br)s2)c(C)c1
InChIInChI=1S/C17H22BrNS/c1-11-9-12(2)17(13(3)10-11)14(4)19-8-7-15-5-6-16(18)20-15/h5-6,9-10,14,19H,7-8H2,1-4H3
InChIKeyJFPPWXUQAQJQAU-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 103917395
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
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
1-(1,3-benzothiazol-2-yl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 103778873
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 103913849
2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol
CID 104581933
N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine
CID 106042494
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115712482

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine (CID 106043570) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)NCCc2ccc(Br)s2)c(C)c1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is JFPPWXUQAQJQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-11-9-12(2)17(13(3)10-11)14(4)19-8-7-15-5-6-16(18)20-15/h5-6,9-10,14,19H,7-8H2,1-4H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 352.34 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 106043570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).