2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol

C14H23NO2 — CID 112512309

IUPAC2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol
SMILESCCNC(CO)c1cc(C)c(OCC)cc1C
InChIInChI=1S/C14H23NO2/c1-5-15-13(9-16)12-7-11(4)14(17-6-2)8-10(12)3/h7-8,13,15-16H,5-6,9H2,1-4H3
InChIKeyUPRCGEHSDCEELO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.35
Rot. Bonds6

About 2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol

2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol (PubChem CID 112512309) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol.

Molecular Properties

Compound Name2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol
PubChem CID112512309
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol
SMILESCCNC(CO)c1cc(C)c(OCC)cc1C
InChIInChI=1S/C14H23NO2/c1-5-15-13(9-16)12-7-11(4)14(17-6-2)8-10(12)3/h7-8,13,15-16H,5-6,9H2,1-4H3
InChIKeyUPRCGEHSDCEELO-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol
CID 112512368
1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol
CID 112512601
1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
CID 82284052
1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 112510507
1-(4,5-dimethoxy-2-methylphenyl)-N-ethylpropan-1-amine
CID 43626772
2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine
CID 112508260
3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83940835
2-(4-ethoxy-2,5-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 112512308
3-(4-ethoxy-2,5-dimethylphenyl)butanethioamide
CID 83940846
1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 112518773
cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
CID 82049139
2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
CID 112509429

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol?
The IUPAC name of 2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol (CID 112512309) is 2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol.
What is the SMILES notation for 2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol?
The canonical SMILES for 2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol is CCNC(CO)c1cc(C)c(OCC)cc1C.
What is the InChIKey of 2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol?
The InChIKey is UPRCGEHSDCEELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-15-13(9-16)12-7-11(4)14(17-6-2)8-10(12)3/h7-8,13,15-16H,5-6,9H2,1-4H3.
What are the key properties of 2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol?
2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol is sourced from PubChem (CID 112512309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).