2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol

C16H25NO — CID 117018523

IUPAC2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol
SMILESCC1(C)CC(CCO)CN1CCc1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2)12-15(9-11-18)13-17(16)10-8-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3
InChIKeyPFHHABOYGUDEIX-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.71
Rot. Bonds5

About 2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol

2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol (PubChem CID 117018523) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol
PubChem CID117018523
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol
SMILESCC1(C)CC(CCO)CN1CCc1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2)12-15(9-11-18)13-17(16)10-8-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3
InChIKeyPFHHABOYGUDEIX-UHFFFAOYSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 117018518
2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol
CID 117021321
2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol
CID 117018520
2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
CID 117018668
6,6-dimethyl-1-(2-phenylethyl)piperidin-3-amine
CID 117020993
2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine
CID 64844387
2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol
CID 117018566
2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 117016985
2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol
CID 117020423
2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334919
2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine
CID 117017552
2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117019433

Frequently Asked Questions

What is the IUPAC name of 2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol (CID 117018523) is 2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol is CC1(C)CC(CCO)CN1CCc1ccccc1.
What is the InChIKey of 2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is PFHHABOYGUDEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2)12-15(9-11-18)13-17(16)10-8-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3.
What are the key properties of 2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol?
2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 117018523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).