(1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol

C14H21NO — CID 79188358

IUPAC(1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC1CN(c2ccccc2[C@@H](C)O)CC1C
InChIInChI=1S/C14H21NO/c1-10-8-15(9-11(10)2)14-7-5-4-6-13(14)12(3)16/h4-7,10-12,16H,8-9H2,1-3H3/t10?,11?,12-/m1/s1
InChIKeyATDIFFSVWNBYDT-HTAVTVPLSA-N
MW219.33 g/mol
LogP2.83
Rot. Bonds2

About (1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol

(1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol (PubChem CID 79188358) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
PubChem CID79188358
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC1CN(c2ccccc2[C@@H](C)O)CC1C
InChIInChI=1S/C14H21NO/c1-10-8-15(9-11(10)2)14-7-5-4-6-13(14)12(3)16/h4-7,10-12,16H,8-9H2,1-3H3/t10?,11?,12-/m1/s1
InChIKeyATDIFFSVWNBYDT-HTAVTVPLSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol (CID 79188358) is (1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol is CC1CN(c2ccccc2[C@@H](C)O)CC1C.
What is the InChIKey of (1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol?
The InChIKey is ATDIFFSVWNBYDT-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-8-15(9-11(10)2)14-7-5-4-6-13(14)12(3)16/h4-7,10-12,16H,8-9H2,1-3H3/t10?,11?,12-/m1/s1.
What are the key properties of (1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol?
(1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 79188358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).