N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine

C15H14BrN3S — CID 105172958

IUPACN-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
SMILESCCNC(c1sccc1Br)c1cccc2nccnc12
InChIInChI=1S/C15H14BrN3S/c1-2-17-14(15-11(16)6-9-20-15)10-4-3-5-12-13(10)19-8-7-18-12/h3-9,14,17H,2H2,1H3
InChIKeyOTJZMVKKUFDDHK-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.15
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine

N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine (PubChem CID 105172958) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
PubChem CID105172958
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC NameN-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
SMILESCCNC(c1sccc1Br)c1cccc2nccnc12
InChIInChI=1S/C15H14BrN3S/c1-2-17-14(15-11(16)6-9-20-15)10-4-3-5-12-13(10)19-8-7-18-12/h3-9,14,17H,2H2,1H3
InChIKeyOTJZMVKKUFDDHK-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 107361665
N-[(3-bromothiophen-2-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103138016
N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 80535905
N-[(3-bromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80536090
N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
CID 105173375
N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035892
N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81143315
N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55240315
N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043665
N-methyl-1-(2-methylthiophen-3-yl)-1-quinoxalin-5-ylmethanamine
CID 102841956
N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 63798446
N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 80535141

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine (CID 105172958) is N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine is CCNC(c1sccc1Br)c1cccc2nccnc12.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine?
The InChIKey is OTJZMVKKUFDDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S/c1-2-17-14(15-11(16)6-9-20-15)10-4-3-5-12-13(10)19-8-7-18-12/h3-9,14,17H,2H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine?
N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine has a molecular weight of 348.27 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine is sourced from PubChem (CID 105172958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).