N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline

C17H17N3 — CID 14474543

IUPACN-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline
SMILESCc1nc2ccccc2nc1CN(C)c1ccccc1
InChIInChI=1S/C17H17N3/c1-13-17(12-20(2)14-8-4-3-5-9-14)19-16-11-7-6-10-15(16)18-13/h3-11H,12H2,1-2H3
InChIKeyFAEFTPUSGDRSHJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.57
Rot. Bonds3

About N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline

N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline (PubChem CID 14474543) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline
PubChem CID14474543
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline
SMILESCc1nc2ccccc2nc1CN(C)c1ccccc1
InChIInChI=1S/C17H17N3/c1-13-17(12-20(2)14-8-4-3-5-9-14)19-16-11-7-6-10-15(16)18-13/h3-11H,12H2,1-2H3
InChIKeyFAEFTPUSGDRSHJ-UHFFFAOYSA-N
XLogP3.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline?
The IUPAC name of N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline (CID 14474543) is N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline.
What is the SMILES notation for N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline?
The canonical SMILES for N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline is Cc1nc2ccccc2nc1CN(C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline?
The InChIKey is FAEFTPUSGDRSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-17(12-20(2)14-8-4-3-5-9-14)19-16-11-7-6-10-15(16)18-13/h3-11H,12H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline?
N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline has a molecular weight of 263.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline is sourced from PubChem (CID 14474543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).