3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol

C18H29NO2 — CID 83941673

IUPAC3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCOc1ccc(C(C(C)CO)N2CCCC2)c(CC)c1
InChIInChI=1S/C18H29NO2/c1-4-15-12-16(21-5-2)8-9-17(15)18(14(3)13-20)19-10-6-7-11-19/h8-9,12,14,18,20H,4-7,10-11,13H2,1-3H3
InChIKeyXCCSWXROYWQSRT-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.41
Rot. Bonds7

About 3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol

3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 83941673) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID83941673
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCOc1ccc(C(C(C)CO)N2CCCC2)c(CC)c1
InChIInChI=1S/C18H29NO2/c1-4-15-12-16(21-5-2)8-9-17(15)18(14(3)13-20)19-10-6-7-11-19/h8-9,12,14,18,20H,4-7,10-11,13H2,1-3H3
InChIKeyXCCSWXROYWQSRT-UHFFFAOYSA-N
XLogP3.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol (CID 83941673) is 3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol is CCOc1ccc(C(C(C)CO)N2CCCC2)c(CC)c1.
What is the InChIKey of 3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is XCCSWXROYWQSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-15-12-16(21-5-2)8-9-17(15)18(14(3)13-20)19-10-6-7-11-19/h8-9,12,14,18,20H,4-7,10-11,13H2,1-3H3.
What are the key properties of 3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 83941673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).