4-(diethylaminomethyl)-2,6-dimethylphenol

C13H21NO — CID 15576438

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

About 4-(diethylaminomethyl)-2,6-dimethylphenol

4-(diethylaminomethyl)-2,6-dimethylphenol (PubChem CID 15576438) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(diethylaminomethyl)-2,6-dimethylphenol
PubChem CID15576438
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(diethylaminomethyl)-2,6-dimethylphenol
SMILESCCN(CC)Cc1cc(C)c(O)c(C)c1
InChIInChI=1S/C13H21NO/c1-5-14(6-2)9-12-7-10(3)13(15)11(4)8-12/h7-8,15H,5-6,9H2,1-4H3
InChIKeyRLAZLSLHRJIOTG-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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Related Compounds

4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol
CID 102999125
4-[[ethyl(2-methoxyethyl)amino]methyl]-2,6-dimethylphenol
CID 82986228
2,4,6-tris(diethylaminomethyl)phenol
CID 18544187
ethane;4-ethyl-2,6-dimethylphenol
CID 143343408
4-ethyl-2,6-dimethylphenol;methane
CID 159618487
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide
CID 82986749
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 65067154
4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol
CID 78907248
4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
CID 82981488
4-(diethylamino)-2,6-dimethylphenol
CID 15751872
2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82977801
4-(diethylaminomethyl)-5-methylbenzene-1,2-diol
CID 23591531

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-2,6-dimethylphenol?
The IUPAC name of 4-(diethylaminomethyl)-2,6-dimethylphenol (CID 15576438) is 4-(diethylaminomethyl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(diethylaminomethyl)-2,6-dimethylphenol?
The canonical SMILES for 4-(diethylaminomethyl)-2,6-dimethylphenol is CCN(CC)Cc1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-(diethylaminomethyl)-2,6-dimethylphenol?
The InChIKey is RLAZLSLHRJIOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-14(6-2)9-12-7-10(3)13(15)11(4)8-12/h7-8,15H,5-6,9H2,1-4H3.
What are the key properties of 4-(diethylaminomethyl)-2,6-dimethylphenol?
4-(diethylaminomethyl)-2,6-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)-2,6-dimethylphenol is sourced from PubChem (CID 15576438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).