2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane

C23H29N3 — CID 145044910

IUPAC2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane
SMILESCC.CCCCc1ccc(-c2nc(C)nc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H23N3.C2H6/c1-4-5-6-17-9-13-19(14-10-17)21-23-16(3)22-20(24-21)18-11-7-15(2)8-12-18;1-2/h7-14H,4-6H2,1-3H3;1-2H3
InChIKeyUETMYULKWBRDKM-UHFFFAOYSA-N
MW347.51 g/mol
LogP6.19
Rot. Bonds5

About 2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane

2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane (PubChem CID 145044910) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane.

Molecular Properties

Compound Name2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane
PubChem CID145044910
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane
SMILESCC.CCCCc1ccc(-c2nc(C)nc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H23N3.C2H6/c1-4-5-6-17-9-13-19(14-10-17)21-23-16(3)22-20(24-21)18-11-7-15(2)8-12-18;1-2/h7-14H,4-6H2,1-3H3;1-2H3
InChIKeyUETMYULKWBRDKM-UHFFFAOYSA-N
XLogP6.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.51
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58371157
2,4-bis(2,4-dimethylphenyl)-6-[4-(4-hexylphenyl)phenyl]-1,3,5-triazine
CID 118244537
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 59147599
1-butyl-4-methylbenzene;trifluoroalumane
CID 175081213
1-methyl-4-octylbenzene
CID 11052746
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327
1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane
CID 156867707

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane?
The IUPAC name of 2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane (CID 145044910) is 2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane.
What is the SMILES notation for 2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane?
The canonical SMILES for 2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane is CC.CCCCc1ccc(-c2nc(C)nc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane?
The InChIKey is UETMYULKWBRDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3.C2H6/c1-4-5-6-17-9-13-19(14-10-17)21-23-16(3)22-20(24-21)18-11-7-15(2)8-12-18;1-2/h7-14H,4-6H2,1-3H3;1-2H3.
What are the key properties of 2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane?
2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane has a molecular weight of 347.51 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane is sourced from PubChem (CID 145044910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).