4-(diethylaminomethyl)-2,5-dimethylphenol

C13H21NO — CID 585129

IUPAC4-(diethylaminomethyl)-2,5-dimethylphenol
SMILESCCN(CC)Cc1cc(C)c(O)cc1C
InChIInChI=1S/C13H21NO/c1-5-14(6-2)9-12-7-11(4)13(15)8-10(12)3/h7-8,15H,5-6,9H2,1-4H3
InChIKeyXWLYWWDJKAPLDA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.85
Rot. Bonds4

About 4-(diethylaminomethyl)-2,5-dimethylphenol

4-(diethylaminomethyl)-2,5-dimethylphenol (PubChem CID 585129) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-2,5-dimethylphenol.

Molecular Properties

Compound Name4-(diethylaminomethyl)-2,5-dimethylphenol
PubChem CID585129
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(diethylaminomethyl)-2,5-dimethylphenol
SMILESCCN(CC)Cc1cc(C)c(O)cc1C
InChIInChI=1S/C13H21NO/c1-5-14(6-2)9-12-7-11(4)13(15)8-10(12)3/h7-8,15H,5-6,9H2,1-4H3
InChIKeyXWLYWWDJKAPLDA-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-2,5-dimethylphenol?
The IUPAC name of 4-(diethylaminomethyl)-2,5-dimethylphenol (CID 585129) is 4-(diethylaminomethyl)-2,5-dimethylphenol.
What is the SMILES notation for 4-(diethylaminomethyl)-2,5-dimethylphenol?
The canonical SMILES for 4-(diethylaminomethyl)-2,5-dimethylphenol is CCN(CC)Cc1cc(C)c(O)cc1C.
What is the InChIKey of 4-(diethylaminomethyl)-2,5-dimethylphenol?
The InChIKey is XWLYWWDJKAPLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-14(6-2)9-12-7-11(4)13(15)8-10(12)3/h7-8,15H,5-6,9H2,1-4H3.
What are the key properties of 4-(diethylaminomethyl)-2,5-dimethylphenol?
4-(diethylaminomethyl)-2,5-dimethylphenol has a molecular weight of 207.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-2,5-dimethylphenol is sourced from PubChem (CID 585129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).