(1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol

C13H19NO — CID 78939900

IUPAC(1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC1CCCN1c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C13H19NO/c1-10-4-3-9-14(10)13-7-5-12(6-8-13)11(2)15/h5-8,10-11,15H,3-4,9H2,1-2H3/t10?,11-/m1/s1
InChIKeyOLIGBYFGGQPTHV-RRKGBCIJSA-N
MW205.30 g/mol
LogP2.73
Rot. Bonds2

About (1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol

(1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol (PubChem CID 78939900) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol
PubChem CID78939900
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC1CCCN1c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C13H19NO/c1-10-4-3-9-14(10)13-7-5-12(6-8-13)11(2)15/h5-8,10-11,15H,3-4,9H2,1-2H3/t10?,11-/m1/s1
InChIKeyOLIGBYFGGQPTHV-RRKGBCIJSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol (CID 78939900) is (1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol is CC1CCCN1c1ccc([C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol?
The InChIKey is OLIGBYFGGQPTHV-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-4-3-9-14(10)13-7-5-12(6-8-13)11(2)15/h5-8,10-11,15H,3-4,9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol?
(1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol has a molecular weight of 205.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 78939900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).