3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol

C18H29NO2 — CID 83940835

IUPAC3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCOc1cc(C)c(C(C(C)CO)N2CCCC2)cc1C
InChIInChI=1S/C18H29NO2/c1-5-21-17-11-13(2)16(10-14(17)3)18(15(4)12-20)19-8-6-7-9-19/h10-11,15,18,20H,5-9,12H2,1-4H3
InChIKeyXANSWXZZZXONDE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.47
Rot. Bonds6

About 3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol

3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 83940835) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID83940835
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCOc1cc(C)c(C(C(C)CO)N2CCCC2)cc1C
InChIInChI=1S/C18H29NO2/c1-5-21-17-11-13(2)16(10-14(17)3)18(15(4)12-20)19-8-6-7-9-19/h10-11,15,18,20H,5-9,12H2,1-4H3
InChIKeyXANSWXZZZXONDE-UHFFFAOYSA-N
XLogP3.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83928012
3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83941673
1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
CID 82284052
2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol
CID 112512309
3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83927557
cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
CID 82049139
1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 112510507
3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83937613
(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone
CID 110761639
4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347613
3-(4-ethoxy-2,5-dimethylphenyl)butanethioamide
CID 83940846
1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol
CID 112512601

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol (CID 83940835) is 3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol is CCOc1cc(C)c(C(C(C)CO)N2CCCC2)cc1C.
What is the InChIKey of 3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is XANSWXZZZXONDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-21-17-11-13(2)16(10-14(17)3)18(15(4)12-20)19-8-6-7-9-19/h10-11,15,18,20H,5-9,12H2,1-4H3.
What are the key properties of 3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2,5-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 83940835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).