6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine

C17H16BrN3O — CID 77191902

IUPAC6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine
SMILESCOc1cccc(C(C)Nc2cnc3cc(Br)ccc3n2)c1
InChIInChI=1S/C17H16BrN3O/c1-11(12-4-3-5-14(8-12)22-2)20-17-10-19-16-9-13(18)6-7-15(16)21-17/h3-11H,1-2H3,(H,20,21)
InChIKeyHFOOGVANYGEZFG-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.57
Rot. Bonds4

About 6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine

6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine (PubChem CID 77191902) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine
PubChem CID77191902
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine
SMILESCOc1cccc(C(C)Nc2cnc3cc(Br)ccc3n2)c1
InChIInChI=1S/C17H16BrN3O/c1-11(12-4-3-5-14(8-12)22-2)20-17-10-19-16-9-13(18)6-7-15(16)21-17/h3-11H,1-2H3,(H,20,21)
InChIKeyHFOOGVANYGEZFG-UHFFFAOYSA-N
XLogP4.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43683196
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43126327
N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 112731172
2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
CID 78988750
N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine
CID 80905386
[(5-bromo-2-pyridinyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105267769
7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine
CID 166400280
6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 158759779
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682691
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine?
The IUPAC name of 6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine (CID 77191902) is 6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for 6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine?
The canonical SMILES for 6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine is COc1cccc(C(C)Nc2cnc3cc(Br)ccc3n2)c1.
What is the InChIKey of 6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine?
The InChIKey is HFOOGVANYGEZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-11(12-4-3-5-14(8-12)22-2)20-17-10-19-16-9-13(18)6-7-15(16)21-17/h3-11H,1-2H3,(H,20,21).
What are the key properties of 6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine?
6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine has a molecular weight of 358.24 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 77191902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).