(1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol

C14H21FN2O — CID 78941188

IUPAC(1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1N1CCC(N(C)C)C1
InChIInChI=1S/C14H21FN2O/c1-10(18)14-12(15)5-4-6-13(14)17-8-7-11(9-17)16(2)3/h4-6,10-11,18H,7-9H2,1-3H3/t10-,11?/m1/s1
InChIKeyOWYBJXFMDKKMSX-NFJWQWPMSA-N
MW252.33 g/mol
LogP2.02
Rot. Bonds3

About (1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol

(1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol (PubChem CID 78941188) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol
PubChem CID78941188
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1N1CCC(N(C)C)C1
InChIInChI=1S/C14H21FN2O/c1-10(18)14-12(15)5-4-6-13(14)17-8-7-11(9-17)16(2)3/h4-6,10-11,18H,7-9H2,1-3H3/t10-,11?/m1/s1
InChIKeyOWYBJXFMDKKMSX-NFJWQWPMSA-N
XLogP2.02
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol (CID 78941188) is (1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol is C[C@@H](O)c1c(F)cccc1N1CCC(N(C)C)C1.
What is the InChIKey of (1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol?
The InChIKey is OWYBJXFMDKKMSX-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(18)14-12(15)5-4-6-13(14)17-8-7-11(9-17)16(2)3/h4-6,10-11,18H,7-9H2,1-3H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol?
(1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol has a molecular weight of 252.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol is sourced from PubChem (CID 78941188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).