(1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol

C13H19NO — CID 15285101

IUPAC(1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol
SMILESCN1CCC[C@@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-14-9-5-8-12(14)10-13(15)11-6-3-2-4-7-11/h2-4,6-7,12-13,15H,5,8-10H2,1H3/t12-,13+/m1/s1
InChIKeyHSNKJGULIIPHCI-OLZOCXBDSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds3

About (1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol

(1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol (PubChem CID 15285101) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol
PubChem CID15285101
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol
SMILESCN1CCC[C@@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-14-9-5-8-12(14)10-13(15)11-6-3-2-4-7-11/h2-4,6-7,12-13,15H,5,8-10H2,1H3/t12-,13+/m1/s1
InChIKeyHSNKJGULIIPHCI-OLZOCXBDSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Procyclidine
CID 4919
N-Methylephedrine
CID 4374
Procyclidine hydrochloride
CID 207841
Methylephedrine
CID 64782
(R)-Procyclidine
CID 207838
Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride, (R*,S*)-(+-)-
CID 198190
3-(Dimethylamino)-1-phenylpropan-1-ol
CID 110665
Lobelanidine
CID 442646
(1S,2S)-(+)-N-Methylpseudoephedrine
CID 7059596
Etafedrine
CID 94532
Cinnamedrine
CID 5370611
alpha-(((1-Methylethyl)amino)methyl)benzenemethanol
CID 20119

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol (CID 15285101) is (1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol is CN1CCC[C@@H]1C[C@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol?
The InChIKey is HSNKJGULIIPHCI-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-9-5-8-12(14)10-13(15)11-6-3-2-4-7-11/h2-4,6-7,12-13,15H,5,8-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol?
(1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol has a molecular weight of 205.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2R)-1-methylpyrrolidin-2-yl]-1-phenylethanol is sourced from PubChem (CID 15285101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).