3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol

C14H21NO — CID 165403438

IUPAC3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol
SMILESCCN1CCC(O)(c2cc(C)ccc2C)C1
InChIInChI=1S/C14H21NO/c1-4-15-8-7-14(16,10-15)13-9-11(2)5-6-12(13)3/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyBLPHWCRUTUORSJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.22
Rot. Bonds2

About 3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol

3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol (PubChem CID 165403438) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol
PubChem CID165403438
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol
SMILESCCN1CCC(O)(c2cc(C)ccc2C)C1
InChIInChI=1S/C14H21NO/c1-4-15-8-7-14(16,10-15)13-9-11(2)5-6-12(13)3/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyBLPHWCRUTUORSJ-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol?
The IUPAC name of 3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol (CID 165403438) is 3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol?
The canonical SMILES for 3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol is CCN1CCC(O)(c2cc(C)ccc2C)C1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol?
The InChIKey is BLPHWCRUTUORSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-15-8-7-14(16,10-15)13-9-11(2)5-6-12(13)3/h5-6,9,16H,4,7-8,10H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol?
3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol has a molecular weight of 219.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol is sourced from PubChem (CID 165403438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).