2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol

C14H21NO2 — CID 117237280

IUPAC2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
SMILESCc1ccccc1OCC(O)C1CCN(C)C1
InChIInChI=1S/C14H21NO2/c1-11-5-3-4-6-14(11)17-10-13(16)12-7-8-15(2)9-12/h3-6,12-13,16H,7-10H2,1-2H3
InChIKeyYCVJNSLKWKKINB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds4

About 2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol

2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol (PubChem CID 117237280) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
PubChem CID117237280
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
SMILESCc1ccccc1OCC(O)C1CCN(C)C1
InChIInChI=1S/C14H21NO2/c1-11-5-3-4-6-14(11)17-10-13(16)12-7-8-15(2)9-12/h3-6,12-13,16H,7-10H2,1-2H3
InChIKeyYCVJNSLKWKKINB-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238747
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238738
4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237471
2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
CID 117237799
2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237295
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276
2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237378
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614
1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 110020455
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489
2-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethoxy]phenol
CID 117238771
1-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenoxy)ethanol
CID 117238772

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol (CID 117237280) is 2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol is Cc1ccccc1OCC(O)C1CCN(C)C1.
What is the InChIKey of 2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol?
The InChIKey is YCVJNSLKWKKINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-5-3-4-6-14(11)17-10-13(16)12-7-8-15(2)9-12/h3-6,12-13,16H,7-10H2,1-2H3.
What are the key properties of 2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol?
2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 117237280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).