N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine

C15H20BrNS2 — CID 107961243

IUPACN-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1csc(Br)c1)c1ccc(C(C)(C)C)s1
InChIInChI=1S/C15H20BrNS2/c1-5-17-14(10-8-13(16)18-9-10)11-6-7-12(19-11)15(2,3)4/h6-9,14,17H,5H2,1-4H3
InChIKeyGLVMBMRKNXHTAU-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.57
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine

N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine (PubChem CID 107961243) has the molecular formula C15H20BrNS2 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine
PubChem CID107961243
Molecular FormulaC15H20BrNS2
Molecular Weight358.37 g/mol
Exact Mass357.02
IUPAC NameN-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1csc(Br)c1)c1ccc(C(C)(C)C)s1
InChIInChI=1S/C15H20BrNS2/c1-5-17-14(10-8-13(16)18-9-10)11-6-7-12(19-11)15(2,3)4/h6-9,14,17H,5H2,1-4H3
InChIKeyGLVMBMRKNXHTAU-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]propan-1-amine
CID 107961246
2-bromo-4-[(5-tert-butylthiophen-2-yl)-chloromethyl]thiophene
CID 107964939
N-[(5-tert-butylthiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
CID 107950847
N-[(5-bromo-4-methylthiophen-2-yl)-(5-bromothiophen-3-yl)methyl]ethanamine
CID 107961140
N-[(2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine
CID 107987595
N-[(5-tert-butylthiophen-2-yl)-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106861143
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107291929
N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135400
N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine
CID 107961012
N-[(5-bromothiophen-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106785723
N-[(3-bromo-4-propoxyphenyl)-(5-bromothiophen-3-yl)methyl]ethanamine
CID 107961353

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine (CID 107961243) is N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine is CCNC(c1csc(Br)c1)c1ccc(C(C)(C)C)s1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine?
The InChIKey is GLVMBMRKNXHTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNS2/c1-5-17-14(10-8-13(16)18-9-10)11-6-7-12(19-11)15(2,3)4/h6-9,14,17H,5H2,1-4H3.
What are the key properties of N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine?
N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine has a molecular weight of 358.37 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)-(5-tert-butylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 107961243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).