3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol

C17H27NO — CID 63218416

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCC(C)(CN1CCCC1(C)C)C(O)c1ccccc1
InChIInChI=1S/C17H27NO/c1-16(2,13-18-12-8-11-17(18,3)4)15(19)14-9-6-5-7-10-14/h5-7,9-10,15,19H,8,11-13H2,1-4H3
InChIKeyTYYHCSNPGHCYBA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.62
Rot. Bonds4

About 3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol

3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol (PubChem CID 63218416) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol
PubChem CID63218416
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCC(C)(CN1CCCC1(C)C)C(O)c1ccccc1
InChIInChI=1S/C17H27NO/c1-16(2,13-18-12-8-11-17(18,3)4)15(19)14-9-6-5-7-10-14/h5-7,9-10,15,19H,8,11-13H2,1-4H3
InChIKeyTYYHCSNPGHCYBA-UHFFFAOYSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7,7-dimethyl-1,4-thiazepan-4-yl)-2,2-dimethyl-1-phenylpropan-1-ol
CID 107459467
1-(3-bromo-2-phenylpropyl)-2,2-dimethylpyrrolidine
CID 65015121
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63194001
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
3-[2-(hydroxymethyl)azepan-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 116638232
3-[3-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 107229032
3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol
CID 64791689
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol
CID 55162523
3-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-phenylpropanamide
CID 63217523
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 64581191
2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride
CID 54609005
1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol
CID 115873747

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol (CID 63218416) is 3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol is CC(C)(CN1CCCC1(C)C)C(O)c1ccccc1.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol?
The InChIKey is TYYHCSNPGHCYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,13-18-12-8-11-17(18,3)4)15(19)14-9-6-5-7-10-14/h5-7,9-10,15,19H,8,11-13H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol?
3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol is sourced from PubChem (CID 63218416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).