1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol

C15H23NO2 — CID 3386373

IUPAC1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1cc(C)cc(OCC(O)CN2CCCC2)c1
InChIInChI=1S/C15H23NO2/c1-12-7-13(2)9-15(8-12)18-11-14(17)10-16-5-3-4-6-16/h7-9,14,17H,3-6,10-11H2,1-2H3
InChIKeySLRPVTOJXVFERZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.14
Rot. Bonds5

About 1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol

1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 3386373) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID3386373
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1cc(C)cc(OCC(O)CN2CCCC2)c1
InChIInChI=1S/C15H23NO2/c1-12-7-13(2)9-15(8-12)18-11-14(17)10-16-5-3-4-6-16/h7-9,14,17H,3-6,10-11H2,1-2H3
InChIKeySLRPVTOJXVFERZ-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

Analyze 1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(1,4-diazepan-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 95067042
1-(3,5-dimethylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 110887833
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
(2R)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 764656
(2S)-1-(3,5-dimethylphenoxy)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-2-ol
CID 97003615
1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2881965
1-(4-benzylpiperazin-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol dichloride
CID 21237844
(2S)-1-(3,5-dimethylphenoxy)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 93325171
1-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1,4-diazepan-5-one
CID 110932805
[4-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 78849354
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
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-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol (CID 3386373) is 1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol is Cc1cc(C)cc(OCC(O)CN2CCCC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is SLRPVTOJXVFERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-7-13(2)9-15(8-12)18-11-14(17)10-16-5-3-4-6-16/h7-9,14,17H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
1-(3,5-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-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 3386373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).