1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol

C13H19FN2O — CID 112624306

IUPAC1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2cccc(F)c2CN)C1
InChIInChI=1S/C13H19FN2O/c1-9(17)10-5-6-16(8-10)13-4-2-3-12(14)11(13)7-15/h2-4,9-10,17H,5-8,15H2,1H3
InChIKeyUKUMZHRKQOLGJW-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.49
Rot. Bonds3

About 1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol

1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol (PubChem CID 112624306) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
PubChem CID112624306
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2cccc(F)c2CN)C1
InChIInChI=1S/C13H19FN2O/c1-9(17)10-5-6-16(8-10)13-4-2-3-12(14)11(13)7-15/h2-4,9-10,17H,5-8,15H2,1H3
InChIKeyUKUMZHRKQOLGJW-UHFFFAOYSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 113356001
1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol
CID 107933036
[2-(3-ethylazetidin-1-yl)-6-fluorophenyl]methanamine
CID 79687629
1-[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 107532475
1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194586
[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol
CID 79516188
1-[1-[2-[(1S)-1-aminoethyl]-3-fluorophenyl]piperidin-4-yl]ethanol
CID 106836283
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
1-[2-(chloromethyl)-3-fluorophenyl]-4-propan-2-ylpiperidine
CID 114065502
2-[(3S)-3-[(1S)-1-hydroxyethyl]pyrrolidin-1-yl]benzoic acid
CID 129393692
(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 113359067
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]methanamine
CID 79515492

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol (CID 112624306) is 1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2cccc(F)c2CN)C1.
What is the InChIKey of 1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol?
The InChIKey is UKUMZHRKQOLGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(17)10-5-6-16(8-10)13-4-2-3-12(14)11(13)7-15/h2-4,9-10,17H,5-8,15H2,1H3.
What are the key properties of 1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol has a molecular weight of 238.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).