1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol

C16H25NO — CID 79038082

IUPAC1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
SMILESCc1ccc(C(O)CN2CCC(C)(C)C2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-5-6-14(13(2)9-12)15(18)10-17-8-7-16(3,4)11-17/h5-6,9,15,18H,7-8,10-11H2,1-4H3
InChIKeyJIDBDYFLABJMIQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.07
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol

1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol (PubChem CID 79038082) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
PubChem CID79038082
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
SMILESCc1ccc(C(O)CN2CCC(C)(C)C2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-5-6-14(13(2)9-12)15(18)10-17-8-7-16(3,4)11-17/h5-6,9,15,18H,7-8,10-11H2,1-4H3
InChIKeyJIDBDYFLABJMIQ-UHFFFAOYSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565203
2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 56771247
1-(3,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038375
1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol
CID 63165368
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 103537734
1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol
CID 79037737
3-[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836273
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol
CID 167950146
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol (CID 79038082) is 1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol is Cc1ccc(C(O)CN2CCC(C)(C)C2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol?
The InChIKey is JIDBDYFLABJMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-5-6-14(13(2)9-12)15(18)10-17-8-7-16(3,4)11-17/h5-6,9,15,18H,7-8,10-11H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol?
1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 79038082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).