1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine

C18H19N3 — CID 107356945

IUPAC1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1cnc2ccccc2n1
InChIInChI=1S/C18H19N3/c1-12-8-13(2)10-14(9-12)18(19-3)17-11-20-15-6-4-5-7-16(15)21-17/h4-11,18-19H,1-3H3
InChIKeyJDPLUUWMHVFYPV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.56
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine

1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine (PubChem CID 107356945) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
PubChem CID107356945
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1cnc2ccccc2n1
InChIInChI=1S/C18H19N3/c1-12-8-13(2)10-14(9-12)18(19-3)17-11-20-15-6-4-5-7-16(15)21-17/h4-11,18-19H,1-3H3
InChIKeyJDPLUUWMHVFYPV-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107357086
1-(4-fluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356910
1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356903
N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine
CID 107356920
1-(3,5-dimethylphenyl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 55257537
1-(2,3-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107357167
N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine
CID 107357254
[(2,4-dimethylphenyl)-quinoxalin-2-ylmethyl]hydrazine
CID 107357864
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107357474
[(2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethyl]hydrazine
CID 107357861
1-(3,5-dimethylphenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020075
N-methyl-2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356897

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine (CID 107356945) is 1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine is CNC(c1cc(C)cc(C)c1)c1cnc2ccccc2n1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine?
The InChIKey is JDPLUUWMHVFYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-8-13(2)10-14(9-12)18(19-3)17-11-20-15-6-4-5-7-16(15)21-17/h4-11,18-19H,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine?
1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 107356945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).