[1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol

C13H19FN2O — CID 61411386

IUPAC[1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
SMILESCNCc1cc(F)ccc1N1CCCC1CO
InChIInChI=1S/C13H19FN2O/c1-15-8-10-7-11(14)4-5-13(10)16-6-2-3-12(16)9-17/h4-5,7,12,15,17H,2-3,6,8-9H2,1H3
InChIKeyQMBWUNVUWGLGOY-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.51
Rot. Bonds4

About [1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol

[1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol (PubChem CID 61411386) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
PubChem CID61411386
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
SMILESCNCc1cc(F)ccc1N1CCCC1CO
InChIInChI=1S/C13H19FN2O/c1-15-8-10-7-11(14)4-5-13(10)16-6-2-3-12(16)9-17/h4-5,7,12,15,17H,2-3,6,8-9H2,1H3
InChIKeyQMBWUNVUWGLGOY-UHFFFAOYSA-N
XLogP1.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

[1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 63060776
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635482
[1-[5-bromo-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61411184
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54886079
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63059353
N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313933
[1-[5-bromo-2-(methylaminomethyl)phenyl]azepan-2-yl]methanol
CID 116635480
5-fluoro-2-[2-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 61407533
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-fluorophenyl]-N-methylmethanamine
CID 43620568
[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol
CID 62121883
[1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol
CID 61410897
[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 43313937

Frequently Asked Questions

What is the IUPAC name of [1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol (CID 61411386) is [1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol is CNCc1cc(F)ccc1N1CCCC1CO.
What is the InChIKey of [1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol?
The InChIKey is QMBWUNVUWGLGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-15-8-10-7-11(14)4-5-13(10)16-6-2-3-12(16)9-17/h4-5,7,12,15,17H,2-3,6,8-9H2,1H3.
What are the key properties of [1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol?
[1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol has a molecular weight of 238.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 61411386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).