4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol

C14H23NO2 — CID 28093

IUPAC4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol
SMILESCc1cc(OCCN(C)C)c(C(C)C)cc1O
InChIInChI=1S/C14H23NO2/c1-10(2)12-9-13(16)11(3)8-14(12)17-7-6-15(4)5/h8-10,16H,6-7H2,1-5H3
InChIKeyHJGRPZCEBPNMDU-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.76
Rot. Bonds5

About 4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol

4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol (PubChem CID 28093) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol
PubChem CID28093
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol
SMILESCc1cc(OCCN(C)C)c(C(C)C)cc1O
InChIInChI=1S/C14H23NO2/c1-10(2)12-9-13(16)11(3)8-14(12)17-7-6-15(4)5/h8-10,16H,6-7H2,1-5H3
InChIKeyHJGRPZCEBPNMDU-UHFFFAOYSA-N
XLogP2.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol (CID 28093) is 4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol is Cc1cc(OCCN(C)C)c(C(C)C)cc1O.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol?
The InChIKey is HJGRPZCEBPNMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)12-9-13(16)11(3)8-14(12)17-7-6-15(4)5/h8-10,16H,6-7H2,1-5H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol?
4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol has a molecular weight of 237.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol is sourced from PubChem (CID 28093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).