2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine

C17H20BrN3 — CID 63776922

IUPAC2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C17H20BrN3/c1-20-9-10-21(16-8-3-2-7-15(16)20)17(12-19)13-5-4-6-14(18)11-13/h2-8,11,17H,9-10,12,19H2,1H3
InChIKeyUKBUKIWIWPGDHW-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.41
Rot. Bonds3

About 2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine

2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine (PubChem CID 63776922) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
PubChem CID63776922
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C17H20BrN3/c1-20-9-10-21(16-8-3-2-7-15(16)20)17(12-19)13-5-4-6-14(18)11-13/h2-8,11,17H,9-10,12,19H2,1H3
InChIKeyUKBUKIWIWPGDHW-UHFFFAOYSA-N
XLogP3.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine (CID 63776922) is 2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine is CN1CCN(C(CN)c2cccc(Br)c2)c2ccccc21.
What is the InChIKey of 2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine?
The InChIKey is UKBUKIWIWPGDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-20-9-10-21(16-8-3-2-7-15(16)20)17(12-19)13-5-4-6-14(18)11-13/h2-8,11,17H,9-10,12,19H2,1H3.
What are the key properties of 2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine?
2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine has a molecular weight of 346.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine is sourced from PubChem (CID 63776922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).