3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine

C18H21N — CID 143871752

IUPAC3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine
SMILESCCc1ccc(Cc2ccc(C3CC3)c(C)n2)cc1
InChIInChI=1S/C18H21N/c1-3-14-4-6-15(7-5-14)12-17-10-11-18(13(2)19-17)16-8-9-16/h4-7,10-11,16H,3,8-9,12H2,1-2H3
InChIKeyCREURXYTEGUJMI-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.42
Rot. Bonds4

About 3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine

3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine (PubChem CID 143871752) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine
PubChem CID143871752
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine
SMILESCCc1ccc(Cc2ccc(C3CC3)c(C)n2)cc1
InChIInChI=1S/C18H21N/c1-3-14-4-6-15(7-5-14)12-17-10-11-18(13(2)19-17)16-8-9-16/h4-7,10-11,16H,3,8-9,12H2,1-2H3
InChIKeyCREURXYTEGUJMI-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine?
The IUPAC name of 3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine (CID 143871752) is 3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine.
What is the SMILES notation for 3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine?
The canonical SMILES for 3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine is CCc1ccc(Cc2ccc(C3CC3)c(C)n2)cc1.
What is the InChIKey of 3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine?
The InChIKey is CREURXYTEGUJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-14-4-6-15(7-5-14)12-17-10-11-18(13(2)19-17)16-8-9-16/h4-7,10-11,16H,3,8-9,12H2,1-2H3.
What are the key properties of 3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine?
3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine has a molecular weight of 251.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine is sourced from PubChem (CID 143871752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).