2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine

C15H20N4O — CID 96668570

IUPAC2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
SMILESCCOc1ccc(-c2nc(C)nc(CCN)n2)cc1C
InChIInChI=1S/C15H20N4O/c1-4-20-13-6-5-12(9-10(13)2)15-18-11(3)17-14(19-15)7-8-16/h5-6,9H,4,7-8,16H2,1-3H3
InChIKeyJPVLEZWDUKROIQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.06
Rot. Bonds5

About 2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine

2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine (PubChem CID 96668570) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
PubChem CID96668570
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
SMILESCCOc1ccc(-c2nc(C)nc(CCN)n2)cc1C
InChIInChI=1S/C15H20N4O/c1-4-20-13-6-5-12(9-10(13)2)15-18-11(3)17-14(19-15)7-8-16/h5-6,9H,4,7-8,16H2,1-3H3
InChIKeyJPVLEZWDUKROIQ-UHFFFAOYSA-N
XLogP2.06
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975
2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82489865
2-[2-(4-ethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96662741
2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 96669810
2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96662742
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
2-[5-(4-ethoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662776
2-[3-(4-ethoxy-3-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 96663706
4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol
CID 135978640
[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine
CID 82289248
2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864423
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine
CID 96659154

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine (CID 96668570) is 2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine is CCOc1ccc(-c2nc(C)nc(CCN)n2)cc1C.
What is the InChIKey of 2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The InChIKey is JPVLEZWDUKROIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-20-13-6-5-12(9-10(13)2)15-18-11(3)17-14(19-15)7-8-16/h5-6,9H,4,7-8,16H2,1-3H3.
What are the key properties of 2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine is sourced from PubChem (CID 96668570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).