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

C13H19NO3 — CID 62976703

IUPAC3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol
SMILESCOc1ccc(OC)c(C2(O)CCN(C)C2)c1
InChIInChI=1S/C13H19NO3/c1-14-7-6-13(15,9-14)11-8-10(16-2)4-5-12(11)17-3/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyRWKBPFKBSSNKPU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.23
Rot. Bonds3

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

3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol (PubChem CID 62976703) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol
PubChem CID62976703
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol
SMILESCOc1ccc(OC)c(C2(O)CCN(C)C2)c1
InChIInChI=1S/C13H19NO3/c1-14-7-6-13(15,9-14)11-8-10(16-2)4-5-12(11)17-3/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyRWKBPFKBSSNKPU-UHFFFAOYSA-N
XLogP1.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468438
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237
1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79862324
1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol
CID 62802493
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571
4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol
CID 163596191
4-(2,4-dimethoxyphenyl)-1-ethylpiperidin-4-ol
CID 62801450
4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol
CID 10739357
4-(2-methoxy-5-methylphenyl)-1-propylpiperidin-4-ol
CID 55120385
1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871378
1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol
CID 65049668
3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65327604

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol (CID 62976703) is 3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol is COc1ccc(OC)c(C2(O)CCN(C)C2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol?
The InChIKey is RWKBPFKBSSNKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-14-7-6-13(15,9-14)11-8-10(16-2)4-5-12(11)17-3/h4-5,8,15H,6-7,9H2,1-3H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol?
3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol has a molecular weight of 237.30 g/mol, XLogP of 1.23, 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-methylpyrrolidin-3-ol is sourced from PubChem (CID 62976703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).