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

C13H19NO — CID 138485227

IUPAC(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
SMILESCC[C@](O)(c1ccccc1)[C@H]1CCCN1
InChIInChI=1S/C13H19NO/c1-2-13(15,12-9-6-10-14-12)11-7-4-3-5-8-11/h3-5,7-8,12,14-15H,2,6,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyLFRMVOOIJZDBAH-OLZOCXBDSA-N
MW205.30 g/mol
LogP2.04
Rot. Bonds3

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

(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol (PubChem CID 138485227) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
PubChem CID138485227
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
SMILESCC[C@](O)(c1ccccc1)[C@H]1CCCN1
InChIInChI=1S/C13H19NO/c1-2-13(15,12-9-6-10-14-12)11-7-4-3-5-8-11/h3-5,7-8,12,14-15H,2,6,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyLFRMVOOIJZDBAH-OLZOCXBDSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 155010547
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one
CID 69378819
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
CID 19782534
diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane
CID 138393439
cyclohexyl-phenyl-pyrrolidin-2-ylmethanol
CID 166041148
(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
CID 124705714
1,1-diphenyl-2-[(2R)-pyrrolidin-2-yl]ethanol
CID 89497125
1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 68769138
2-(2-methyl-1-phenylpropan-2-yl)pyrrolidine
CID 83908576
cyclohexyl-phenyl-piperidin-2-ylmethanol
CID 23856895
(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]propan-1-ol?
The IUPAC name of (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol (CID 138485227) is (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol is CC[C@](O)(c1ccccc1)[C@H]1CCCN1.
What is the InChIKey of (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol?
The InChIKey is LFRMVOOIJZDBAH-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-13(15,12-9-6-10-14-12)11-7-4-3-5-8-11/h3-5,7-8,12,14-15H,2,6,9-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol?
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.04, 3 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]propan-1-ol is sourced from PubChem (CID 138485227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).