3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol

C14H21NO3 — CID 81468438

IUPAC3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCOc1ccc(OC)c(C2(O)CC(C)N(C)C2)c1
InChIInChI=1S/C14H21NO3/c1-10-8-14(16,9-15(10)2)12-7-11(17-3)5-6-13(12)18-4/h5-7,10,16H,8-9H2,1-4H3
InChIKeySMFDWIPASNWAMA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.62
Rot. Bonds3

About 3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol

3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol (PubChem CID 81468438) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
PubChem CID81468438
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCOc1ccc(OC)c(C2(O)CC(C)N(C)C2)c1
InChIInChI=1S/C14H21NO3/c1-10-8-14(16,9-15(10)2)12-7-11(17-3)5-6-13(12)18-4/h5-7,10,16H,8-9H2,1-4H3
InChIKeySMFDWIPASNWAMA-UHFFFAOYSA-N
XLogP1.62
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 103395075
3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol
CID 62976703
1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol
CID 62802493
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237
3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468333
1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79862324
3-[(2-bromo-5-methoxyphenyl)methyl]-1,5-dimethylpyrrolidin-3-ol
CID 81467434
1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol
CID 65049668
1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol
CID 113491781
1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409211
(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 45097545
4-(2,5-dimethoxyphenyl)-3-ethylpiperidin-4-ol
CID 114510480

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol (CID 81468438) is 3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol is COc1ccc(OC)c(C2(O)CC(C)N(C)C2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol?
The InChIKey is SMFDWIPASNWAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-8-14(16,9-15(10)2)12-7-11(17-3)5-6-13(12)18-4/h5-7,10,16H,8-9H2,1-4H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol?
3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol has a molecular weight of 251.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 81468438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).