1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol

C15H23NO2 — CID 2881965

IUPAC1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1ccc(OCC(O)CN2CCCC2)cc1C
InChIInChI=1S/C15H23NO2/c1-12-5-6-15(9-13(12)2)18-11-14(17)10-16-7-3-4-8-16/h5-6,9,14,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyHWXGDJDLGDWZLC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.14
Rot. Bonds5

About 1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol

1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 2881965) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID2881965
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1ccc(OCC(O)CN2CCCC2)cc1C
InChIInChI=1S/C15H23NO2/c1-12-5-6-15(9-13(12)2)18-11-14(17)10-16-7-3-4-8-16/h5-6,9,14,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyHWXGDJDLGDWZLC-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-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882798
(2R)-1-(4-chloro-3-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 737301
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
1-(4-chloro-3-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2770406
1-(3,4-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237821
1-(azepan-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 2853018
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3,4-dimethylphenoxy)propan-2-ol
CID 30630017
1-(3,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882985
ethyl 4-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 885375
(2S)-1-(3,4-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869840
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol (CID 2881965) is 1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol is Cc1ccc(OCC(O)CN2CCCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is HWXGDJDLGDWZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-5-6-15(9-13(12)2)18-11-14(17)10-16-7-3-4-8-16/h5-6,9,14,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
1-(3,4-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-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 2881965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).