5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol

C14H21FN2O2 — CID 106529938

IUPAC5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1cc(F)cc(CO)c1
InChIInChI=1S/C14H21FN2O2/c1-16(2)7-13-6-14(19)8-17(13)12-4-10(9-18)3-11(15)5-12/h3-5,13-14,18-19H,6-9H2,1-2H3
InChIKeyBANJYWIEXMOPDV-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.82
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol (PubChem CID 106529938) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol
PubChem CID106529938
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1cc(F)cc(CO)c1
InChIInChI=1S/C14H21FN2O2/c1-16(2)7-13-6-14(19)8-17(13)12-4-10(9-18)3-11(15)5-12/h3-5,13-14,18-19H,6-9H2,1-2H3
InChIKeyBANJYWIEXMOPDV-UHFFFAOYSA-N
XLogP0.82
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol (CID 106529938) is 5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1cc(F)cc(CO)c1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is BANJYWIEXMOPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-16(2)7-13-6-14(19)8-17(13)12-4-10(9-18)3-11(15)5-12/h3-5,13-14,18-19H,6-9H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 268.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[3-fluoro-5-(hydroxymethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 106529938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).