N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium

C17H23N4Y- — CID 59879759

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
SMILESCc1nc(NC(C)c2ccc(C)c(C)c2)nc([C-](C)C)n1.[Y]
InChIInChI=1S/C17H23N4.Y/c1-10(2)16-19-14(6)20-17(21-16)18-13(5)15-8-7-11(3)12(4)9-15;/h7-9,13H,1-6H3,(H,18,19,20,21);/q-1;
InChIKeyRVFVWLJOJOISOJ-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium

N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium (PubChem CID 59879759) has the molecular formula C17H23N4Y- and a molecular weight of 372.31 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
PubChem CID59879759
Molecular FormulaC17H23N4Y-
Molecular Weight372.31 g/mol
Exact Mass372.10
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
SMILESCc1nc(NC(C)c2ccc(C)c(C)c2)nc([C-](C)C)n1.[Y]
InChIInChI=1S/C17H23N4.Y/c1-10(2)16-19-14(6)20-17(21-16)18-13(5)15-8-7-11(3)12(4)9-15;/h7-9,13H,1-6H3,(H,18,19,20,21);/q-1;
InChIKeyRVFVWLJOJOISOJ-UHFFFAOYSA-N
XLogP3.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
CID 59879787
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 22965390
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219
N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine
CID 43681331
2-[1-(3,4-dimethylphenyl)ethyl]-1,1-dimethylhydrazine
CID 83004020
N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline
CID 103585111
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448724
2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline
CID 83076291
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916813
1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine
CID 115718870

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium (CID 59879759) is N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium is Cc1nc(NC(C)c2ccc(C)c(C)c2)nc([C-](C)C)n1.[Y].
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium?
The InChIKey is RVFVWLJOJOISOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N4.Y/c1-10(2)16-19-14(6)20-17(21-16)18-13(5)15-8-7-11(3)12(4)9-15;/h7-9,13H,1-6H3,(H,18,19,20,21);/q-1;.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium?
N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium has a molecular weight of 372.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium is sourced from PubChem (CID 59879759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).