1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol

C15H23NO2 — CID 16798655

IUPAC1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1cccc(OCC(O)CN2CCCC2)c1C
InChIInChI=1S/C15H23NO2/c1-12-6-5-7-15(13(12)2)18-11-14(17)10-16-8-3-4-9-16/h5-7,14,17H,3-4,8-11H2,1-2H3
InChIKeyUEFLXXJLXWYCDH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.14
Rot. Bonds5

About 1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol

1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 16798655) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID16798655
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1cccc(OCC(O)CN2CCCC2)c1C
InChIInChI=1S/C15H23NO2/c1-12-6-5-7-15(13(12)2)18-11-14(17)10-16-8-3-4-9-16/h5-7,14,17H,3-4,8-11H2,1-2H3
InChIKeyUEFLXXJLXWYCDH-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol chloride
CID 46863854
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 18807405
1-(2,3-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 18807413
1-(2,6-dimethylmorpholin-4-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 16807205
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
1-(2,6-dimethylphenoxy)-3-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 23739744
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
CID 2968485
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol (CID 16798655) is 1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol is Cc1cccc(OCC(O)CN2CCCC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is UEFLXXJLXWYCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-6-5-7-15(13(12)2)18-11-14(17)10-16-8-3-4-9-16/h5-7,14,17H,3-4,8-11H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 16798655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).