(2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine

C16H25NO — CID 147642184

IUPAC(2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine
SMILESCC(C)(C)O[C@@](C)(c1ccccc1)[C@H]1CCCN1
InChIInChI=1S/C16H25NO/c1-15(2,3)18-16(4,14-11-8-12-17-14)13-9-6-5-7-10-13/h5-7,9-10,14,17H,8,11-12H2,1-4H3/t14-,16+/m1/s1
InChIKeyGHVLEYPDXSVEDZ-ZBFHGGJFSA-N
MW247.38 g/mol
LogP3.47
Rot. Bonds3

About (2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine

(2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine (PubChem CID 147642184) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine
PubChem CID147642184
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine
SMILESCC(C)(C)O[C@@](C)(c1ccccc1)[C@H]1CCCN1
InChIInChI=1S/C16H25NO/c1-15(2,3)18-16(4,14-11-8-12-17-14)13-9-6-5-7-10-13/h5-7,9-10,14,17H,8,11-12H2,1-4H3/t14-,16+/m1/s1
InChIKeyGHVLEYPDXSVEDZ-ZBFHGGJFSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine?
The IUPAC name of (2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine (CID 147642184) is (2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine is CC(C)(C)O[C@@](C)(c1ccccc1)[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine?
The InChIKey is GHVLEYPDXSVEDZ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)18-16(4,14-11-8-12-17-14)13-9-6-5-7-10-13/h5-7,9-10,14,17H,8,11-12H2,1-4H3/t14-,16+/m1/s1.
What are the key properties of (2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine?
(2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine is sourced from PubChem (CID 147642184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).