(1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol

C14H21NO — CID 3054353

IUPAC(1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol
SMILESCc1cccc([C@H](O)C[C@H]2CCCN2C)c1
InChIInChI=1S/C14H21NO/c1-11-5-3-6-12(9-11)14(16)10-13-7-4-8-15(13)2/h3,5-6,9,13-14,16H,4,7-8,10H2,1-2H3/t13-,14-/m1/s1
InChIKeyHFJYNBGNRHOTLA-ZIAGYGMSSA-N
MW219.33 g/mol
LogP2.51
Rot. Bonds3

About (1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol

(1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol (PubChem CID 3054353) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol
PubChem CID3054353
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol
SMILESCc1cccc([C@H](O)C[C@H]2CCCN2C)c1
InChIInChI=1S/C14H21NO/c1-11-5-3-6-12(9-11)14(16)10-13-7-4-8-15(13)2/h3,5-6,9,13-14,16H,4,7-8,10H2,1-2H3/t13-,14-/m1/s1
InChIKeyHFJYNBGNRHOTLA-ZIAGYGMSSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol (CID 3054353) is (1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol is Cc1cccc([C@H](O)C[C@H]2CCCN2C)c1.
What is the InChIKey of (1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol?
The InChIKey is HFJYNBGNRHOTLA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-3-6-12(9-11)14(16)10-13-7-4-8-15(13)2/h3,5-6,9,13-14,16H,4,7-8,10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol?
(1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methylphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 3054353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).