2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline

C17H17N3 — CID 43765885

IUPAC2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline
SMILESCc1ccc(C)c(NCc2cnc3ccccc3n2)c1
InChIInChI=1S/C17H17N3/c1-12-7-8-13(2)17(9-12)19-11-14-10-18-15-5-3-4-6-16(15)20-14/h3-10,19H,11H2,1-2H3
InChIKeyVPNLJQXUGHFWPF-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.86
Rot. Bonds3

About 2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline

2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline (PubChem CID 43765885) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline
PubChem CID43765885
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline
SMILESCc1ccc(C)c(NCc2cnc3ccccc3n2)c1
InChIInChI=1S/C17H17N3/c1-12-7-8-13(2)17(9-12)19-11-14-10-18-15-5-3-4-6-16(15)20-14/h3-10,19H,11H2,1-2H3
InChIKeyVPNLJQXUGHFWPF-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-trichloro-N-(quinoxalin-2-ylmethyl)aniline
CID 43759066
2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline
CID 43789270
2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline
CID 63867018
2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline
CID 62809285
2,5-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 29047782
4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
CID 110869626
3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine
CID 43777194
4-bromo-N-(quinoxalin-2-ylmethyl)aniline
CID 43762731
2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537
4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline
CID 43757884
4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline
CID 43773739
(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81363891

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline?
The IUPAC name of 2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline (CID 43765885) is 2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline.
What is the SMILES notation for 2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline?
The canonical SMILES for 2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline is Cc1ccc(C)c(NCc2cnc3ccccc3n2)c1.
What is the InChIKey of 2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline?
The InChIKey is VPNLJQXUGHFWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-7-8-13(2)17(9-12)19-11-14-10-18-15-5-3-4-6-16(15)20-14/h3-10,19H,11H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline?
2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline has a molecular weight of 263.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline is sourced from PubChem (CID 43765885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).