2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine

C13H20ClN3 — CID 84635088

IUPAC2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine
SMILESCc1cc(Cl)c2c(c1)N(C)CC(CCN)N2C
InChIInChI=1S/C13H20ClN3/c1-9-6-11(14)13-12(7-9)16(2)8-10(4-5-15)17(13)3/h6-7,10H,4-5,8,15H2,1-3H3
InChIKeyCEBVMTRRKNRHTM-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.25
Rot. Bonds2

About 2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine

2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine (PubChem CID 84635088) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine
PubChem CID84635088
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine
SMILESCc1cc(Cl)c2c(c1)N(C)CC(CCN)N2C
InChIInChI=1S/C13H20ClN3/c1-9-6-11(14)13-12(7-9)16(2)8-10(4-5-15)17(13)3/h6-7,10H,4-5,8,15H2,1-3H3
InChIKeyCEBVMTRRKNRHTM-UHFFFAOYSA-N
XLogP2.25
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine?
The IUPAC name of 2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine (CID 84635088) is 2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine.
What is the SMILES notation for 2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine?
The canonical SMILES for 2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine is Cc1cc(Cl)c2c(c1)N(C)CC(CCN)N2C.
What is the InChIKey of 2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine?
The InChIKey is CEBVMTRRKNRHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9-6-11(14)13-12(7-9)16(2)8-10(4-5-15)17(13)3/h6-7,10H,4-5,8,15H2,1-3H3.
What are the key properties of 2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine?
2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine has a molecular weight of 253.78 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine is sourced from PubChem (CID 84635088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).