1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine

C17H16BrN3 — CID 43780222

IUPAC1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESCC(NCc1cnc2ccccc2n1)c1ccccc1Br
InChIInChI=1S/C17H16BrN3/c1-12(14-6-2-3-7-15(14)18)19-10-13-11-20-16-8-4-5-9-17(16)21-13/h2-9,11-12,19H,10H2,1H3
InChIKeyGWPNGFQUOMDGMO-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.24
Rot. Bonds4

About 1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine

1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine (PubChem CID 43780222) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
PubChem CID43780222
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESCC(NCc1cnc2ccccc2n1)c1ccccc1Br
InChIInChI=1S/C17H16BrN3/c1-12(14-6-2-3-7-15(14)18)19-10-13-11-20-16-8-4-5-9-17(16)21-13/h2-9,11-12,19H,10H2,1H3
InChIKeyGWPNGFQUOMDGMO-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81363891
(1R)-1-(furan-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81400826
N-(quinoxalin-2-ylmethyl)hexan-2-amine
CID 55050397
1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 106388068
(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81378788
1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43770212
(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81379629
1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786265
2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 43786598
1-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60978097
1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 43223395
N-ethyl-3-methyl-1-quinoxalin-2-ylbutan-2-amine
CID 63201806

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine (CID 43780222) is 1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine is CC(NCc1cnc2ccccc2n1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The InChIKey is GWPNGFQUOMDGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-12(14-6-2-3-7-15(14)18)19-10-13-11-20-16-8-4-5-9-17(16)21-13/h2-9,11-12,19H,10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine?
1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine has a molecular weight of 342.24 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine is sourced from PubChem (CID 43780222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).