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

C17H29NO2 — CID 83935223

IUPAC3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
SMILESCCOc1ccc(C(C(C)CO)N(C)C)cc1C(C)C
InChIInChI=1S/C17H29NO2/c1-7-20-16-9-8-14(10-15(16)12(2)3)17(18(5)6)13(4)11-19/h8-10,12-13,17,19H,7,11H2,1-6H3
InChIKeyDSABSUYJDZBFFZ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.44
Rot. Bonds7

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

3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol (PubChem CID 83935223) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
PubChem CID83935223
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
SMILESCCOc1ccc(C(C(C)CO)N(C)C)cc1C(C)C
InChIInChI=1S/C17H29NO2/c1-7-20-16-9-8-14(10-15(16)12(2)3)17(18(5)6)13(4)11-19/h8-10,12-13,17,19H,7,11H2,1-6H3
InChIKeyDSABSUYJDZBFFZ-UHFFFAOYSA-N
XLogP3.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 83926821
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83935225
3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
CID 83942689
2-[2,4-di(propan-2-yl)phenoxy]ethanol
CID 166451717
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
5-(4-ethoxy-3-propan-2-ylphenyl)heptane-2,3-diol
CID 83935302
3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116911710
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide
CID 83935239
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol (CID 83935223) is 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol is CCOc1ccc(C(C(C)CO)N(C)C)cc1C(C)C.
What is the InChIKey of 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol?
The InChIKey is DSABSUYJDZBFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-20-16-9-8-14(10-15(16)12(2)3)17(18(5)6)13(4)11-19/h8-10,12-13,17,19H,7,11H2,1-6H3.
What are the key properties of 3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol?
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.44, 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)-2-methylpropan-1-ol is sourced from PubChem (CID 83935223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).