2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol

C15H23NO — CID 79560822

IUPAC2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CC2CCCN2)c(C)c1
InChIInChI=1S/C15H23NO/c1-10-7-11(2)15(12(3)8-10)14(17)9-13-5-4-6-16-13/h7-8,13-14,16-17H,4-6,9H2,1-3H3
InChIKeyYIALYVXBUZENGH-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.79
Rot. Bonds3

About 2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol

2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 79560822) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID79560822
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CC2CCCN2)c(C)c1
InChIInChI=1S/C15H23NO/c1-10-7-11(2)15(12(3)8-10)14(17)9-13-5-4-6-16-13/h7-8,13-14,16-17H,4-6,9H2,1-3H3
InChIKeyYIALYVXBUZENGH-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol
CID 79560663
1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466414
(1R)-1-(furan-2-yl)-2-[(2S)-pyrrolidin-2-yl]ethanol
CID 95975648
2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 170905811
1-(4-methyl-3-nitrophenyl)-2-pyrrolidin-2-ylethanol
CID 81466211
1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol
CID 79559655
1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
CID 84674533
1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol
CID 79559824
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559738
1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone
CID 106883000
1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685638

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol (CID 79560822) is 2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)CC2CCCN2)c(C)c1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is YIALYVXBUZENGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-7-11(2)15(12(3)8-10)14(17)9-13-5-4-6-16-13/h7-8,13-14,16-17H,4-6,9H2,1-3H3.
What are the key properties of 2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol?
2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 233.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 79560822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).