(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol

C12H17NO — CID 13068815

IUPAC(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
SMILESC[C@](O)(c1ccccc1)[C@H]1CCCN1
InChIInChI=1S/C12H17NO/c1-12(14,11-8-5-9-13-11)10-6-3-2-4-7-10/h2-4,6-7,11,13-14H,5,8-9H2,1H3/t11-,12+/m1/s1
InChIKeyCMBFPAOCIMBCTJ-NEPJUHHUSA-N
MW191.27 g/mol
LogP1.65
Rot. Bonds2

About (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol

(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol (PubChem CID 13068815) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
PubChem CID13068815
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
SMILESC[C@](O)(c1ccccc1)[C@H]1CCCN1
InChIInChI=1S/C12H17NO/c1-12(14,11-8-5-9-13-11)10-6-3-2-4-7-10/h2-4,6-7,11,13-14H,5,8-9H2,1H3/t11-,12+/m1/s1
InChIKeyCMBFPAOCIMBCTJ-NEPJUHHUSA-N
XLogP1.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 68769138
1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141493
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
CID 19782534
4-(1-hydroxy-1-piperidin-2-ylethyl)phenol
CID 83075523
1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 155010547
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 138485227
1-(furan-3-yl)-1-pyrrolidin-2-ylethanol
CID 115467228
3-(1-hydroxy-1-pyrrolidin-2-ylethyl)benzonitrile
CID 115481382
diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane
CID 138393439
1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82287159
1-pyridin-2-yl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 177219789
(2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine
CID 147642184

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol (CID 13068815) is (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol is C[C@](O)(c1ccccc1)[C@H]1CCCN1.
What is the InChIKey of (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol?
The InChIKey is CMBFPAOCIMBCTJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(14,11-8-5-9-13-11)10-6-3-2-4-7-10/h2-4,6-7,11,13-14H,5,8-9H2,1H3/t11-,12+/m1/s1.
What are the key properties of (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol?
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol has a molecular weight of 191.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 13068815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).