3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene

C22H25N — CID 91341403

IUPAC3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2ccc(C)cc2)cc1.Cc1cncc(C)c1
InChIInChI=1S/C15H16.C7H9N/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6-3-7(2)5-8-4-6/h3-10H,11H2,1-2H3;3-5H,1-2H3
InChIKeyKMJNAPZPELTNQO-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.59
Rot. Bonds2

About 3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene

3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene (PubChem CID 91341403) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene
PubChem CID91341403
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2ccc(C)cc2)cc1.Cc1cncc(C)c1
InChIInChI=1S/C15H16.C7H9N/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6-3-7(2)5-8-4-6/h3-10H,11H2,1-2H3;3-5H,1-2H3
InChIKeyKMJNAPZPELTNQO-UHFFFAOYSA-N
XLogP5.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
CID 174996178
CID 174996178
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane
CID 91507263
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939
5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine
CID 144764080
2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine
CID 59938712
1-benzyl-4-methylbenzene;toluene
CID 144690555
1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
CID 22408145
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene (CID 91341403) is 3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene is Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1cncc(C)c1.
What is the InChIKey of 3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene?
The InChIKey is KMJNAPZPELTNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C7H9N/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6-3-7(2)5-8-4-6/h3-10H,11H2,1-2H3;3-5H,1-2H3.
What are the key properties of 3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene?
3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene has a molecular weight of 303.45 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 91341403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).