3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol

C14H21NO2 — CID 113250145

IUPAC3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol
SMILESCc1ccccc1OCCN1CCC(C)(O)C1
InChIInChI=1S/C14H21NO2/c1-12-5-3-4-6-13(12)17-10-9-15-8-7-14(2,16)11-15/h3-6,16H,7-11H2,1-2H3
InChIKeyBRLSPYBNUNLWLL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.83
Rot. Bonds4

About 3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol

3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol (PubChem CID 113250145) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol
PubChem CID113250145
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol
SMILESCc1ccccc1OCCN1CCC(C)(O)C1
InChIInChI=1S/C14H21NO2/c1-12-5-3-4-6-13(12)17-10-9-15-8-7-14(2,16)11-15/h3-6,16H,7-11H2,1-2H3
InChIKeyBRLSPYBNUNLWLL-UHFFFAOYSA-N
XLogP1.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethoxy]benzohydrazide
CID 103358703
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CID 75386741
1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
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CID 71576016
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
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2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 82092299
3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol
CID 103728813
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614
2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
CID 145107872
4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol
CID 121418449
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol (CID 113250145) is 3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol is Cc1ccccc1OCCN1CCC(C)(O)C1.
What is the InChIKey of 3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol?
The InChIKey is BRLSPYBNUNLWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-5-3-4-6-13(12)17-10-9-15-8-7-14(2,16)11-15/h3-6,16H,7-11H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol?
3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 113250145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).