4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline

C18H23N3 — CID 63778419

IUPAC4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline
SMILESCc1ccc(NCCN2CCN(C)c3ccccc32)cc1
InChIInChI=1S/C18H23N3/c1-15-7-9-16(10-8-15)19-11-12-21-14-13-20(2)17-5-3-4-6-18(17)21/h3-10,19H,11-14H2,1-2H3
InChIKeyJYVMCVQRTVUAEO-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.36
Rot. Bonds4

About 4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline

4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline (PubChem CID 63778419) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline
PubChem CID63778419
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline
SMILESCc1ccc(NCCN2CCN(C)c3ccccc32)cc1
InChIInChI=1S/C18H23N3/c1-15-7-9-16(10-8-15)19-11-12-21-14-13-20(2)17-5-3-4-6-18(17)21/h3-10,19H,11-14H2,1-2H3
InChIKeyJYVMCVQRTVUAEO-UHFFFAOYSA-N
XLogP3.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline (CID 63778419) is 4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline is Cc1ccc(NCCN2CCN(C)c3ccccc32)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline?
The InChIKey is JYVMCVQRTVUAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-15-7-9-16(10-8-15)19-11-12-21-14-13-20(2)17-5-3-4-6-18(17)21/h3-10,19H,11-14H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline?
4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline has a molecular weight of 281.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]aniline is sourced from PubChem (CID 63778419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).