2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine

C15H21N — CID 123537307

IUPAC2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine
SMILESCC1=NC(C)CC(c2ccccc2C)C1C
InChIInChI=1S/C15H21N/c1-10-7-5-6-8-14(10)15-9-11(2)16-13(4)12(15)3/h5-8,11-12,15H,9H2,1-4H3
InChIKeyLTNDEJPCHWULAO-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.97
Rot. Bonds1

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

2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine (PubChem CID 123537307) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine
PubChem CID123537307
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine
SMILESCC1=NC(C)CC(c2ccccc2C)C1C
InChIInChI=1S/C15H21N/c1-10-7-5-6-8-14(10)15-9-11(2)16-13(4)12(15)3/h5-8,11-12,15H,9H2,1-4H3
InChIKeyLTNDEJPCHWULAO-UHFFFAOYSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
CID 59774098
4-methyl-3-(2-methylphenyl)cyclohexan-1-amine
CID 165497411
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
CID 28912263
1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene
CID 101382283
N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine
CID 94558305
2-(2-methylphenyl)cyclopropane-1-sulfonyl chloride
CID 82368514
2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021069
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
CID 25150642
2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81013335
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine (CID 123537307) is 2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine is CC1=NC(C)CC(c2ccccc2C)C1C.
What is the InChIKey of 2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is LTNDEJPCHWULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-10-7-5-6-8-14(10)15-9-11(2)16-13(4)12(15)3/h5-8,11-12,15H,9H2,1-4H3.
What are the key properties of 2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine?
2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 215.34 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 123537307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).