3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol

C15H25NO2 — CID 83940208

IUPAC3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol
SMILESCCOc1cc(C)c(C(CCO)N(C)C)c(C)c1
InChIInChI=1S/C15H25NO2/c1-6-18-13-9-11(2)15(12(3)10-13)14(7-8-17)16(4)5/h9-10,14,17H,6-8H2,1-5H3
InChIKeyXSBITNJCRLKOQK-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.69
Rot. Bonds6

About 3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol

3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol (PubChem CID 83940208) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol
PubChem CID83940208
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol
SMILESCCOc1cc(C)c(C(CCO)N(C)C)c(C)c1
InChIInChI=1S/C15H25NO2/c1-6-18-13-9-11(2)15(12(3)10-13)14(7-8-17)16(4)5/h9-10,14,17H,6-8H2,1-5H3
InChIKeyXSBITNJCRLKOQK-UHFFFAOYSA-N
XLogP2.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol
CID 116907711
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83935225
3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83940722
1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine
CID 116905573
4-(dimethylamino)-4-(4-ethoxyphenyl)butan-1-ol
CID 116907779
4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride
CID 70476800
3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83924924
3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid
CID 83958958
3-(4-ethoxy-2,6-dimethylphenyl)butanethioamide
CID 83940223
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584
2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol
CID 83940191
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol (CID 83940208) is 3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol is CCOc1cc(C)c(C(CCO)N(C)C)c(C)c1.
What is the InChIKey of 3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol?
The InChIKey is XSBITNJCRLKOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-18-13-9-11(2)15(12(3)10-13)14(7-8-17)16(4)5/h9-10,14,17H,6-8H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol?
3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 83940208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).