3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol

C16H27NO2 — CID 83935225

IUPAC3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
SMILESCCOc1ccc(C(CCO)N(C)C)cc1C(C)C
InChIInChI=1S/C16H27NO2/c1-6-19-16-8-7-13(11-14(16)12(2)3)15(9-10-18)17(4)5/h7-8,11-12,15,18H,6,9-10H2,1-5H3
InChIKeyDONFPPCZHIARCW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.19
Rot. Bonds7

About 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol

3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol (PubChem CID 83935225) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
PubChem CID83935225
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
SMILESCCOc1ccc(C(CCO)N(C)C)cc1C(C)C
InChIInChI=1S/C16H27NO2/c1-6-19-16-8-7-13(11-14(16)12(2)3)15(9-10-18)17(4)5/h7-8,11-12,15,18H,6,9-10H2,1-5H3
InChIKeyDONFPPCZHIARCW-UHFFFAOYSA-N
XLogP3.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 83935223
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584
4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol
CID 116907790
3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83928505
3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83926098
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
2-[2,4-di(propan-2-yl)phenoxy]ethanol
CID 166451717
5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one
CID 116910641
4-(dimethylamino)-4-(4-ethoxyphenyl)butan-1-ol
CID 116907779
3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol
CID 83940208
6-(4-ethoxy-3-propan-2-ylphenyl)heptane-3,4-diol
CID 83935306
1-ethoxy-4-hept-4-yn-2-yl-2-propan-2-ylbenzene
CID 83935264

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol (CID 83935225) is 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol is CCOc1ccc(C(CCO)N(C)C)cc1C(C)C.
What is the InChIKey of 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol?
The InChIKey is DONFPPCZHIARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-19-16-8-7-13(11-14(16)12(2)3)15(9-10-18)17(4)5/h7-8,11-12,15,18H,6,9-10H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol?
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.19, 7 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-3-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 83935225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).