2,4-dimethylphenol;1-methylpyrrolidine

C13H21NO — CID 171834752

IUPAC2,4-dimethylphenol;1-methylpyrrolidine
SMILESCN1CCCC1.Cc1ccc(O)c(C)c1
InChIInChI=1S/C8H10O.C5H11N/c1-6-3-4-8(9)7(2)5-6;1-6-4-2-3-5-6/h3-5,9H,1-2H3;2-5H2,1H3
InChIKeyVKLJWAMJSVGLCO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.72
Rot. Bonds

About 2,4-dimethylphenol;1-methylpyrrolidine

2,4-dimethylphenol;1-methylpyrrolidine (PubChem CID 171834752) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,4-dimethylphenol;1-methylpyrrolidine.

Molecular Properties

Compound Name2,4-dimethylphenol;1-methylpyrrolidine
PubChem CID171834752
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2,4-dimethylphenol;1-methylpyrrolidine
SMILESCN1CCCC1.Cc1ccc(O)c(C)c1
InChIInChI=1S/C8H10O.C5H11N/c1-6-3-4-8(9)7(2)5-6;1-6-4-2-3-5-6/h3-5,9H,1-2H3;2-5H2,1H3
InChIKeyVKLJWAMJSVGLCO-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylphenol;1-methylpyrrolidine?
The IUPAC name of 2,4-dimethylphenol;1-methylpyrrolidine (CID 171834752) is 2,4-dimethylphenol;1-methylpyrrolidine.
What is the SMILES notation for 2,4-dimethylphenol;1-methylpyrrolidine?
The canonical SMILES for 2,4-dimethylphenol;1-methylpyrrolidine is CN1CCCC1.Cc1ccc(O)c(C)c1.
What is the InChIKey of 2,4-dimethylphenol;1-methylpyrrolidine?
The InChIKey is VKLJWAMJSVGLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C5H11N/c1-6-3-4-8(9)7(2)5-6;1-6-4-2-3-5-6/h3-5,9H,1-2H3;2-5H2,1H3.
What are the key properties of 2,4-dimethylphenol;1-methylpyrrolidine?
2,4-dimethylphenol;1-methylpyrrolidine has a molecular weight of 207.32 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylphenol;1-methylpyrrolidine is sourced from PubChem (CID 171834752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).