2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol

C16H25NO — CID 83136214

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol
SMILESCCC1CCC(C)N1CC(O)c1ccccc1C
InChIInChI=1S/C16H25NO/c1-4-14-10-9-13(3)17(14)11-16(18)15-8-6-5-7-12(15)2/h5-8,13-14,16,18H,4,9-11H2,1-3H3
InChIKeyRJQPSOXEGNXDFJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.29
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol (PubChem CID 83136214) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol
PubChem CID83136214
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol
SMILESCCC1CCC(C)N1CC(O)c1ccccc1C
InChIInChI=1S/C16H25NO/c1-4-14-10-9-13(3)17(14)11-16(18)15-8-6-5-7-12(15)2/h5-8,13-14,16,18H,4,9-11H2,1-3H3
InChIKeyRJQPSOXEGNXDFJ-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 83219322
3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 83221213
1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83227590
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
CID 83221740
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 83228040
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83135383
1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66370370
3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropanenitrile
CID 83228008
benzyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpropanoate
CID 106484384
1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine
CID 83227091
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol
CID 104968503
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol (CID 83136214) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol is CCC1CCC(C)N1CC(O)c1ccccc1C.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol?
The InChIKey is RJQPSOXEGNXDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-14-10-9-13(3)17(14)11-16(18)15-8-6-5-7-12(15)2/h5-8,13-14,16,18H,4,9-11H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 83136214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).