2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol

C17H27NO2 — CID 124741203

IUPAC2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol
SMILESCc1ccc(C)c([C@H](O)CN2CCC[C@H]2C(C)(C)O)c1
InChIInChI=1S/C17H27NO2/c1-12-7-8-13(2)14(10-12)15(19)11-18-9-5-6-16(18)17(3,4)20/h7-8,10,15-16,19-20H,5-6,9,11H2,1-4H3/t15-,16+/m1/s1
InChIKeyVTIIUUBKLZEWLN-CVEARBPZSA-N
MW277.41 g/mol
LogP2.57
Rot. Bonds4

About 2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol

2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 124741203) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID124741203
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol
SMILESCc1ccc(C)c([C@H](O)CN2CCC[C@H]2C(C)(C)O)c1
InChIInChI=1S/C17H27NO2/c1-12-7-8-13(2)14(10-12)15(19)11-18-9-5-6-16(18)17(3,4)20/h7-8,10,15-16,19-20H,5-6,9,11H2,1-4H3/t15-,16+/m1/s1
InChIKeyVTIIUUBKLZEWLN-CVEARBPZSA-N
XLogP2.57
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol with MolForge

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Related Compounds

(3R)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-3-ol
CID 99850417
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol
CID 65440471
1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
CID 65148482
1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol
CID 46968099
(2S)-1-ethoxy-3-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 97329734
(2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 124856114
2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol
CID 62774526
2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 110009559
1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol
CID 63236873
2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 99576883

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol (CID 124741203) is 2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol is Cc1ccc(C)c([C@H](O)CN2CCC[C@H]2C(C)(C)O)c1.
What is the InChIKey of 2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is VTIIUUBKLZEWLN-CVEARBPZSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-7-8-13(2)14(10-12)15(19)11-18-9-5-6-16(18)17(3,4)20/h7-8,10,15-16,19-20H,5-6,9,11H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of 2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol?
2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 124741203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).