5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine

C13H17N — CID 90361156

IUPAC5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine
SMILESCC1=C(c2ccccc2C)CCNC1
InChIInChI=1S/C13H17N/c1-10-5-3-4-6-12(10)13-7-8-14-9-11(13)2/h3-6,14H,7-9H2,1-2H3
InChIKeyXYQQASBHCQAUGN-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.76
Rot. Bonds1

About 5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine

5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 90361156) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine
PubChem CID90361156
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine
SMILESCC1=C(c2ccccc2C)CCNC1
InChIInChI=1S/C13H17N/c1-10-5-3-4-6-12(10)13-7-8-14-9-11(13)2/h3-6,14H,7-9H2,1-2H3
InChIKeyXYQQASBHCQAUGN-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine (CID 90361156) is 5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine is CC1=C(c2ccccc2C)CCNC1.
What is the InChIKey of 5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is XYQQASBHCQAUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10-5-3-4-6-12(10)13-7-8-14-9-11(13)2/h3-6,14H,7-9H2,1-2H3.
What are the key properties of 5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine?
5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 187.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 90361156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).