[2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol

C21H27NO — CID 10244848

IUPAC[2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol
SMILESCC1(C)CC(CO)C(CC(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C21H27NO/c1-21(2)14-18(15-23)20(22-21)13-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-20,22-23H,13-15H2,1-2H3
InChIKeyBUCCSIHZCLCWOE-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.96
Rot. Bonds5

About [2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol

[2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol (PubChem CID 10244848) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is [2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol
PubChem CID10244848
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name[2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol
SMILESCC1(C)CC(CO)C(CC(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C21H27NO/c1-21(2)14-18(15-23)20(22-21)13-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-20,22-23H,13-15H2,1-2H3
InChIKeyBUCCSIHZCLCWOE-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol?
The IUPAC name of [2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol (CID 10244848) is [2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol?
The canonical SMILES for [2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol is CC1(C)CC(CO)C(CC(c2ccccc2)c2ccccc2)N1.
What is the InChIKey of [2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol?
The InChIKey is BUCCSIHZCLCWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-21(2)14-18(15-23)20(22-21)13-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-20,22-23H,13-15H2,1-2H3.
What are the key properties of [2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol?
[2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol has a molecular weight of 309.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-diphenylethyl)-5,5-dimethylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 10244848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).