4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol

C12H19NO — CID 130033656

IUPAC4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol
SMILESCCc1cc(O)cc(C)c1CN(C)C
InChIInChI=1S/C12H19NO/c1-5-10-7-11(14)6-9(2)12(10)8-13(3)4/h6-7,14H,5,8H2,1-4H3
InChIKeyLXRGFDWIUCVFIF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.32
Rot. Bonds3

About 4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol

4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol (PubChem CID 130033656) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol
PubChem CID130033656
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol
SMILESCCc1cc(O)cc(C)c1CN(C)C
InChIInChI=1S/C12H19NO/c1-5-10-7-11(14)6-9(2)12(10)8-13(3)4/h6-7,14H,5,8H2,1-4H3
InChIKeyLXRGFDWIUCVFIF-UHFFFAOYSA-N
XLogP2.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol?
The IUPAC name of 4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol (CID 130033656) is 4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol?
The canonical SMILES for 4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol is CCc1cc(O)cc(C)c1CN(C)C.
What is the InChIKey of 4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol?
The InChIKey is LXRGFDWIUCVFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-10-7-11(14)6-9(2)12(10)8-13(3)4/h6-7,14H,5,8H2,1-4H3.
What are the key properties of 4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol?
4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol is sourced from PubChem (CID 130033656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).