(1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol

C13H19NO2 — CID 10680510

IUPAC(1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol
SMILESOC[C@@H]1CCCN1C[C@@H](O)c1ccccc1
InChIInChI=1S/C13H19NO2/c15-10-12-7-4-8-14(12)9-13(16)11-5-2-1-3-6-11/h1-3,5-6,12-13,15-16H,4,7-10H2/t12-,13+/m0/s1
InChIKeySARZZPXJGYGAMU-QWHCGFSZSA-N
MW221.30 g/mol
LogP1.18
Rot. Bonds4

About (1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol

(1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol (PubChem CID 10680510) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol
PubChem CID10680510
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol
SMILESOC[C@@H]1CCCN1C[C@@H](O)c1ccccc1
InChIInChI=1S/C13H19NO2/c15-10-12-7-4-8-14(12)9-13(16)11-5-2-1-3-6-11/h1-3,5-6,12-13,15-16H,4,7-10H2/t12-,13+/m0/s1
InChIKeySARZZPXJGYGAMU-QWHCGFSZSA-N
XLogP1.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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DL-Ephedrine
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Methylephedrine
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d-Ephedrine
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3-(Dimethylamino)-1-phenylpropan-1-ol
CID 110665

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol (CID 10680510) is (1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol is OC[C@@H]1CCCN1C[C@@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol?
The InChIKey is SARZZPXJGYGAMU-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H19NO2/c15-10-12-7-4-8-14(12)9-13(16)11-5-2-1-3-6-11/h1-3,5-6,12-13,15-16H,4,7-10H2/t12-,13+/m0/s1.
What are the key properties of (1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol?
(1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol has a molecular weight of 221.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 10680510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).