4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione

C12H13FN2O3 — CID 64765198

IUPAC4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione
SMILESNCc1ccc(F)cc1CN1C(=O)COCC1=O
InChIInChI=1S/C12H13FN2O3/c13-10-2-1-8(4-14)9(3-10)5-15-11(16)6-18-7-12(15)17/h1-3H,4-7,14H2
InChIKeyVWUIKTVWGBKISB-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.17
Rot. Bonds3

About 4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione

4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione (PubChem CID 64765198) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione
PubChem CID64765198
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione
SMILESNCc1ccc(F)cc1CN1C(=O)COCC1=O
InChIInChI=1S/C12H13FN2O3/c13-10-2-1-8(4-14)9(3-10)5-15-11(16)6-18-7-12(15)17/h1-3H,4-7,14H2
InChIKeyVWUIKTVWGBKISB-UHFFFAOYSA-N
XLogP0.17
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione 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-[[2-(aminomethyl)-5-fluorophenyl]methyl]pyridin-4-one
CID 64763549
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 64765381
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one
CID 80579438
4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione
CID 61328540
[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine
CID 64769111
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 64764832
3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 63289214
[4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 66393414
1-[(2-amino-5-fluorophenyl)methyl]-4-methylpiperidine-2,6-dione
CID 79499662
6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one
CID 62197648

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione?
The IUPAC name of 4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione (CID 64765198) is 4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione?
The canonical SMILES for 4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione is NCc1ccc(F)cc1CN1C(=O)COCC1=O.
What is the InChIKey of 4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione?
The InChIKey is VWUIKTVWGBKISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-10-2-1-8(4-14)9(3-10)5-15-11(16)6-18-7-12(15)17/h1-3H,4-7,14H2.
What are the key properties of 4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione?
4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione has a molecular weight of 252.24 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione is sourced from PubChem (CID 64765198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).