4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one

C12H15FN2O2 — CID 107113912

IUPAC4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one
SMILESNCc1cccc(CN2CCOCC2=O)c1F
InChIInChI=1S/C12H15FN2O2/c13-12-9(6-14)2-1-3-10(12)7-15-4-5-17-8-11(15)16/h1-3H,4-8,14H2
InChIKeyUZBYHEQEGUKSDY-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.64
Rot. Bonds3

About 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one

4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one (PubChem CID 107113912) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one
PubChem CID107113912
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one
SMILESNCc1cccc(CN2CCOCC2=O)c1F
InChIInChI=1S/C12H15FN2O2/c13-12-9(6-14)2-1-3-10(12)7-15-4-5-17-8-11(15)16/h1-3H,4-8,14H2
InChIKeyUZBYHEQEGUKSDY-UHFFFAOYSA-N
XLogP0.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one?
The IUPAC name of 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one (CID 107113912) is 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one?
The canonical SMILES for 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one is NCc1cccc(CN2CCOCC2=O)c1F.
What is the InChIKey of 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one?
The InChIKey is UZBYHEQEGUKSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-12-9(6-14)2-1-3-10(12)7-15-4-5-17-8-11(15)16/h1-3H,4-8,14H2.
What are the key properties of 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one?
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one has a molecular weight of 238.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one is sourced from PubChem (CID 107113912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).