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

C14H18FN3O2 — CID 64765381

IUPAC3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(Cc2cc(F)ccc2CN)C1=O
InChIInChI=1S/C14H18FN3O2/c1-3-14(2)12(19)18(13(20)17-14)8-10-6-11(15)5-4-9(10)7-16/h4-6H,3,7-8,16H2,1-2H3,(H,17,20)
InChIKeyDERJBVUOCOJNJA-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.50
Rot. Bonds4

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

3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 64765381) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID64765381
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(Cc2cc(F)ccc2CN)C1=O
InChIInChI=1S/C14H18FN3O2/c1-3-14(2)12(19)18(13(20)17-14)8-10-6-11(15)5-4-9(10)7-16/h4-6H,3,7-8,16H2,1-2H3,(H,17,20)
InChIKeyDERJBVUOCOJNJA-UHFFFAOYSA-N
XLogP1.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 64765381) is 3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(Cc2cc(F)ccc2CN)C1=O.
What is the InChIKey of 3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is DERJBVUOCOJNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-3-14(2)12(19)18(13(20)17-14)8-10-6-11(15)5-4-9(10)7-16/h4-6H,3,7-8,16H2,1-2H3,(H,17,20).
What are the key properties of 3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 279.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 64765381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).