4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol

C12H17FN2O — CID 117322190

IUPAC4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol
SMILESCN1CC(CN)CC1c1ccc(O)cc1F
InChIInChI=1S/C12H17FN2O/c1-15-7-8(6-14)4-12(15)10-3-2-9(16)5-11(10)13/h2-3,5,8,12,16H,4,6-7,14H2,1H3
InChIKeyKYLDRTZOAAVKOI-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.48
Rot. Bonds2

About 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol

4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol (PubChem CID 117322190) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol
PubChem CID117322190
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol
SMILESCN1CC(CN)CC1c1ccc(O)cc1F
InChIInChI=1S/C12H17FN2O/c1-15-7-8(6-14)4-12(15)10-3-2-9(16)5-11(10)13/h2-3,5,8,12,16H,4,6-7,14H2,1H3
InChIKeyKYLDRTZOAAVKOI-UHFFFAOYSA-N
XLogP1.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol?
The IUPAC name of 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol (CID 117322190) is 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol.
What is the SMILES notation for 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol?
The canonical SMILES for 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol is CN1CC(CN)CC1c1ccc(O)cc1F.
What is the InChIKey of 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol?
The InChIKey is KYLDRTZOAAVKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-15-7-8(6-14)4-12(15)10-3-2-9(16)5-11(10)13/h2-3,5,8,12,16H,4,6-7,14H2,1H3.
What are the key properties of 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol?
4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol has a molecular weight of 224.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol is sourced from PubChem (CID 117322190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).