4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol

C13H21NO — CID 71290543

IUPAC4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol
SMILESCCN(C)CCc1cc(C)c(O)cc1C
InChIInChI=1S/C13H21NO/c1-5-14(4)7-6-12-8-11(3)13(15)9-10(12)2/h8-9,15H,5-7H2,1-4H3
InChIKeyXZKDEGKJEITBNG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.50
Rot. Bonds4

About 4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol

4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol (PubChem CID 71290543) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol
PubChem CID71290543
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol
SMILESCCN(C)CCc1cc(C)c(O)cc1C
InChIInChI=1S/C13H21NO/c1-5-14(4)7-6-12-8-11(3)13(15)9-10(12)2/h8-9,15H,5-7H2,1-4H3
InChIKeyXZKDEGKJEITBNG-UHFFFAOYSA-N
XLogP2.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol?
The IUPAC name of 4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol (CID 71290543) is 4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol.
What is the SMILES notation for 4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol?
The canonical SMILES for 4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol is CCN(C)CCc1cc(C)c(O)cc1C.
What is the InChIKey of 4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol?
The InChIKey is XZKDEGKJEITBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-14(4)7-6-12-8-11(3)13(15)9-10(12)2/h8-9,15H,5-7H2,1-4H3.
What are the key properties of 4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol?
4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol has a molecular weight of 207.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol is sourced from PubChem (CID 71290543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).