3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione

C14H19N3O3 — CID 43253918

IUPAC3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCCOc2ccccc2CN)C1=O
InChIInChI=1S/C14H19N3O3/c1-16-10-13(18)17(14(16)19)7-4-8-20-12-6-3-2-5-11(12)9-15/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeyXGVMUTFGFUYRLI-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.81
Rot. Bonds6

About 3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione

3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione (PubChem CID 43253918) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione
PubChem CID43253918
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCCOc2ccccc2CN)C1=O
InChIInChI=1S/C14H19N3O3/c1-16-10-13(18)17(14(16)19)7-4-8-20-12-6-3-2-5-11(12)9-15/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeyXGVMUTFGFUYRLI-UHFFFAOYSA-N
XLogP0.81
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione
CID 43365808
3-[[2-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione
CID 28824032
3-[3-[2-(aminomethyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43253870
1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 61237359
1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927
[2-[3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]methanamine
CID 61225953
4-[2-[2-(aminomethyl)phenoxy]ethyl]piperazine-2,6-dione
CID 66085454
[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
CID 54882055
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
CID 63103704
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511003
[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
CID 84686072
[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine
CID 61218601

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione (CID 43253918) is 3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CCCOc2ccccc2CN)C1=O.
What is the InChIKey of 3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is XGVMUTFGFUYRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-10-13(18)17(14(16)19)7-4-8-20-12-6-3-2-5-11(12)9-15/h2-3,5-6H,4,7-10,15H2,1H3.
What are the key properties of 3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione?
3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 277.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43253918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).