3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol

C20H33NO — CID 83927557

IUPAC3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCc1ccc(C(C)(C)C)cc1C(C(C)CO)N1CCCC1
InChIInChI=1S/C20H33NO/c1-6-16-9-10-17(20(3,4)5)13-18(16)19(15(2)14-22)21-11-7-8-12-21/h9-10,13,15,19,22H,6-8,11-12,14H2,1-5H3
InChIKeyYGNSBWBYJDEDIQ-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.31
Rot. Bonds5

About 3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol

3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 83927557) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID83927557
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCc1ccc(C(C)(C)C)cc1C(C(C)CO)N1CCCC1
InChIInChI=1S/C20H33NO/c1-6-16-9-10-17(20(3,4)5)13-18(16)19(15(2)14-22)21-11-7-8-12-21/h9-10,13,15,19,22H,6-8,11-12,14H2,1-5H3
InChIKeyYGNSBWBYJDEDIQ-UHFFFAOYSA-N
XLogP4.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol (CID 83927557) is 3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol is CCc1ccc(C(C)(C)C)cc1C(C(C)CO)N1CCCC1.
What is the InChIKey of 3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is YGNSBWBYJDEDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-6-16-9-10-17(20(3,4)5)13-18(16)19(15(2)14-22)21-11-7-8-12-21/h9-10,13,15,19,22H,6-8,11-12,14H2,1-5H3.
What are the key properties of 3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 303.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 83927557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).